data_6rz1_residue ############################ # Computer software used # ############################ 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 6rz1 _Structure_validation_residue.Date_analyzed 2020-07-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.929 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.929 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.9 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.122 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.964 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.964 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 2.4 t-20 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.314 0.396 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.235 0 CA-C-O 121.346 0.415 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.858 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.615 ' H ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.858 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 . . . . . 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.2 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.631 ' C ' ' H ' ' A' ' 20' ' ' ILE . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.934 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.631 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.934 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 . . . . . 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.024 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.893 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.424 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.893 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.237 0 CA-C-O 121.325 0.403 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.547 ' CG2' ' H ' ' A' ' 20' ' ' ILE . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.547 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.526 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.8 p30 . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . . . . . . 0 N--CA 1.421 -2.333 0 CA-C-O 121.203 0.335 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.804 ' N ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.804 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.2 m120 . . . . . 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . . . . . . 0 N--CA 1.421 -2.33 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.866 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.624 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.866 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 . . . . . 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.242 0 CA-C-O 121.091 0.273 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.441 ' C ' ' H ' ' A' ' 13' ' ' GLY . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.5 t30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.044 0 CA-C-O 121.316 0.398 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.83 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.83 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 . . . . . 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 CA-C-O 121.301 0.389 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.426 ' H ' HG13 ' A' ' 10' ' ' ILE . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.133 0 CA-C-O 121.348 0.416 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.251 0.361 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.453 ' HD1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.931 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.931 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.331 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.927 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 19' ' ' MET . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.927 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 22' ' ' ASN . 1.1 m-80 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.127 0 CA-C-O 121.331 0.406 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.73 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.73 ' H ' ' CA ' ' A' ' 19' ' ' MET . 7.7 t-20 . . . . . 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 CA-C-O 121.306 0.392 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.503 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.896 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.896 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.197 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.953 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.953 ' H ' ' C ' ' A' ' 19' ' ' MET . 25.2 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.271 0.373 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' A' ' 9' ' ' ALA . 41.9 t60 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.905 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.905 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.151 0 CA-C-O 121.232 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.3 p-80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.832 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.832 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.073 0 CA-C-O 121.402 0.446 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 CA-C-O 121.241 0.356 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.508 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.9 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.9 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.137 0 CA-C-O 121.281 0.378 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.519 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.507 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.94 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.94 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.827 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.827 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 CA-C-O 121.221 0.345 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.521 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 13' ' ' GLY . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.929 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.929 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 26.9 t30 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.267 0 CA-C-O 121.119 0.289 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.879 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.879 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 N-CA-C 112.114 -0.394 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 32.1 m80 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.891 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.891 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.111 0.284 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.501 ' C ' ' H ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.943 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.943 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.127 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' GLY . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.945 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.945 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.989 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 12.9 t-160 -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.545 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.891 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.428 ' H ' ' H ' ' A' ' 19' ' ' MET . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.891 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.545 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.057 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.534 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.414 -2.776 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 18.8 p30 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.041 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.42 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.937 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.937 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.377 0.431 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.419 0.455 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.885 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.885 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.301 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.83 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.83 ' H ' ' N ' ' A' ' 19' ' ' MET . 8.7 t-20 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.132 0 CA-C-O 121.289 0.383 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.618 ' HD1' ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 m120 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.156 0 N-CA-C 112.086 -0.405 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' CA ' HE21 ' A' ' 21' ' ' GLN . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 . . . . . 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.184 0 CA-C-O 121.347 0.415 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.8 t30 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.466 0 N-CA-C 112.79 -0.124 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' H ' ' A' ' 11' ' ' HIS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.655 ' HD1' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.655 ' N ' ' HD1' ' A' ' 17' ' ' HIS . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-O 121.309 0.394 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' H ' HG13 ' A' ' 10' ' ' ILE . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.94 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.94 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.997 0 CA-C-O 121.304 0.391 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.936 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.936 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.446 HD21 ' C ' ' A' ' 21' ' ' GLN . 1.9 m120 . . . . . 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.155 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 18' ' ' GLY . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.848 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.848 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.238 0.355 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.878 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.878 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.161 0 CA-C-O 121.356 0.42 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.357 0.42 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 8.1 p30 . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.312 0.396 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.899 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.899 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.432 0.462 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 18' ' ' GLY . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.808 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' N ' ' C ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.808 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 . . . . . 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.114 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.89 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.89 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.028 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' H ' ' CG1' ' A' ' 10' ' ' ILE . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 80.0 t60 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.176 0 CA-C-O 121.396 0.442 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 30.9 m80 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . . . . . . 0 N--CA 1.416 -2.671 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.06 0 CA-C-O 121.193 0.329 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.618 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 t-20 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.511 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.5 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 19' ' ' MET . 1.6 p-10 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.217 0 CA-C-O 121.336 0.409 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.959 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.959 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.426 -2.012 0 CA-C-O 121.417 0.454 . . . . 0.0 112.198 . . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 . . . . . 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.113 0 CA-C-O 121.265 0.37 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' A' ' 9' ' ' ALA . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.619 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 17' ' ' HIS . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.619 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.097 0 CA-C-O 121.304 0.391 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.919 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.919 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 13.0 m120 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.031 0 CA-C-O 121.387 0.437 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.765 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.54 ' N ' ' SD ' ' A' ' 19' ' ' MET . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 19' ' ' MET . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.765 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 CA-C-O 121.252 0.362 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ARG . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.565 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.152 0 CA-C-O 121.38 0.434 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.912 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.425 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.912 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.423 -2.195 0 CA-C-O 121.333 0.407 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 . . . . . 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.218 0 CA-C-O 121.238 0.355 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.109 0 CA-C-O 121.271 0.373 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.682 ' H ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.2 t-20 . . . . . 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.147 0.304 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.831 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.831 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.135 0 CA-C-O 121.283 0.38 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.975 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.975 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 CA-C-O 121.327 0.404 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.894 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.894 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.6 m120 . . . . . 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.199 0 CA-C-O 121.353 0.419 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 9' ' ' ALA . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.122 0 CA-C-O 121.344 0.413 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 9' ' ' ALA . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' GLY . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.851 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.4 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.851 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 . . . . . 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.165 0 CA-C-O 121.391 0.44 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.881 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ARG . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.881 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 CA-C-O 121.289 0.383 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.2 p30 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.015 0 CA-C-O 121.338 0.41 . . . . 0.0 113.238 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 9' ' ' ALA . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' H ' HG21 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.912 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' ' H ' ' A' ' 19' ' ' MET . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.912 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 t30 . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.142 0 CA-C-O 121.333 0.407 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.0 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' H ' ' H ' ' A' ' 12' ' ' GLY . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.937 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.937 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.7 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 CA-C-O 121.254 0.363 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.545 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.233 0 CA-C-O 121.082 0.268 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 13' ' ' GLY . 5.0 p-80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.959 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.959 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.826 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 078 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 21.2 t-160 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 CA-C-O 121.382 0.434 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 079 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.24 0.356 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 080 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.501 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.496 ' C ' ' H ' ' A' ' 13' ' ' GLY . 7.9 p-80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.93 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.93 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.29 0.383 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 081 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.461 ' H ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.934 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.934 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.042 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 082 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 15' ' ' PHE . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.4 ' H ' ' H ' ' A' ' 14' ' ' ARG . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.902 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.902 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 0 0 . 1 . 083 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.327 0.404 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.612 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.096 0 CA-C-O 121.186 0.325 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 084 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 12' ' ' GLY . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.585 ' CG2' ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.585 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 . . . . . 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.049 0 CA-C-O 121.306 0.392 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 9' ' ' ALA . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 13.6 p30 . . . . . 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 086 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.482 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 1 1 . 1 . 086 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.862 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.625 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.862 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 . . . . . 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.937 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 087 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 1 1 . 1 . 087 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.905 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.905 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.121 0 CA-C-O 121.414 0.452 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 088 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.179 0 CA-C-O 121.334 0.408 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 089 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 12' ' ' GLY . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.93 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.93 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 090 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' H ' ' H ' ' A' ' 12' ' ' GLY . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.095 0 CA-C-O 121.326 0.403 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 091 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 2 2 . 1 . 091 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.885 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.885 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 0 0 . 1 . 092 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.349 0 CA-C-O 121.276 0.376 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 092 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' C ' ' H ' ' A' ' 13' ' ' GLY . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.612 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.576 ' H ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.7 p-10 . . . . . 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.254 0 CA-C-O 121.307 0.393 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 093 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.514 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.514 ' H ' ' N ' ' A' ' 19' ' ' MET . 3.4 p30 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.957 0 CA-C-O 121.322 0.401 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 094 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.9 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.9 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 095 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.531 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.3 t-20 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.14 0 CA-C-O 121.35 0.416 . . . . 0.0 112.413 . . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 9' ' ' ALA . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.89 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.433 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.89 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 0 0 . 1 . 097 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.904 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 097 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' A' ' 13' ' ' GLY . 18.7 m80 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 098 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t-20 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.055 0 CA-C-O 121.327 0.404 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' ALA . 53.9 t60 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 1 1 . 1 . 099 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 . . . . . 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.928 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 100 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.622 ' CG2' ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.622 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.522 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 p30 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.403 ' H1 ' ' H ' ' A' ' 2' ' ' LEU . 98.2 m-85 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.912 0.387 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.3 mp -71.3 -44.4 65.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 -46.21 2.41 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.024 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.97 123.97 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 8.3 mp -79.56 28.7 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.956 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.605 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 tp 35.54 -156.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.299 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 16.6 tptm 55.76 25.55 8.48 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 101.993 -3.336 . . . . 0.0 101.993 -170.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.74 82.73 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.065 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.003 -173.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.929 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.929 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.9 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 -128.96 -32.55 2.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 11.7 t-160 46.03 -107.71 0.15 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.899 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 75.6 t60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.17 86.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.28 -8.45 70.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -69.82 143.23 52.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -78.44 30.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mt 47.18 -143.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 39.4 mtmt 53.38 25.24 4.42 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.79 79.23 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.236 -4.074 . . . . 0.0 111.918 -173.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.964 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.964 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 2.4 t-20 -85.4 -37.37 19.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 5.5 t-80 74.05 -167.14 0.1 Allowed 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.585 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.64 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 79.6 m80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.676 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 mt 52.9 78.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.35 87.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.108 -0.567 . . . . 0.0 111.828 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.46 12.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 50.7 18.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.617 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm 48.52 -141.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.285 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 mttp 53.38 25.66 4.75 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -170.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.617 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.74 86.28 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.294 -4.048 . . . . 0.0 112.298 -173.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 52.43 39.29 27.33 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 43.85 29.78 0.33 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.953 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.84 -47.07 27.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 33.37 55.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.102 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.05 46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' H ' ' H ' ' A' ' 6' ' ' ILE . 5.7 tp -163.19 -9.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.218 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.615 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.41 -142.12 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 64.9 mttp 52.97 25.37 3.96 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 102.628 -3.101 . . . . 0.0 102.628 -170.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.42 78.67 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.235 1 CA-C-N 108.247 -4.07 . . . . 0.0 112.27 -173.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.858 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.615 ' H ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.858 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 -115.27 23.38 12.51 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 19' ' ' MET . 98.5 m-70 45.49 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.56 -154.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.92 22.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.99 46.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt 52.32 23.51 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.615 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 tp -75.81 -149.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.948 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 67.0 mttm 53.35 25.74 4.78 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -170.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.72 78.22 0.04 OUTLIER Glycine 0 N--CA 1.423 -2.2 1 CA-C-N 108.246 -4.07 . . . . 0.0 112.115 -173.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' H ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.631 ' C ' ' H ' ' A' ' 20' ' ' ILE . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.934 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.631 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.934 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 -154.21 -60.26 0.12 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.607 ' H ' ' CA ' ' A' ' 18' ' ' GLY . 11.7 t-80 38.49 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.673 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 35.3 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.773 0.32 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tp -166.2 -40.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.83 3.29 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.171 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.7 -42.51 57.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 110.637 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tp 52.78 32.08 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.273 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.58 -142.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 19.4 mmmt 53.65 25.27 4.83 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.503 -3.147 . . . . 0.0 102.503 -170.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 76.33 0.04 OUTLIER Glycine 0 N--CA 1.426 -2.024 1 CA-C-N 108.359 -4.019 . . . . 0.0 111.96 -173.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.893 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.424 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.893 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' C ' ' H ' ' A' ' 24' ' ' HIS . 4.6 m120 -97.5 -12.4 22.67 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -52.49 -12.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.836 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 23' ' ' HIS . 77.0 m-70 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.262 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.9 123.21 20.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -14.23 8.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.964 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.4 142.25 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.3 mt -74.62 67.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.9 pt -84.88 -151.69 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.482 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt 53.92 25.91 5.78 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 102.185 -3.265 . . . . 0.0 102.185 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.42 77.8 0.04 OUTLIER Glycine 0 N--CA 1.422 -2.237 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.114 -173.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' CG2' ' H ' ' A' ' 20' ' ' ILE . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.547 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.8 p30 44.25 58.44 3.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -143.82 152.42 41.17 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 113.597 -1.638 . . . . 0.0 110.326 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.539 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 1.4 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.15 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.378 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.62 0.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -163.24 -2.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.3 mp 52.56 84.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 26.1 pt -155.64 -161.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.906 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' HIS . 52.6 mtpt 54.23 25.07 5.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 -169.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.65 59.31 5.49 Favored Glycine 0 N--CA 1.421 -2.333 1 CA-C-N 108.029 -4.168 . . . . 0.0 112.418 -174.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.804 ' N ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.804 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.2 m120 -119.77 35.44 4.85 Favored 'General case' 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' MET . 97.1 m-70 49.09 -86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.104 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 22' ' ' ASN . 43.1 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.2 mp -68.77 -16.91 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 1.15 7.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -166.93 126.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -71.72 93.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.1 pt -155.87 -162.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.947 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' HIS . 68.3 mttm 54.84 25.13 6.35 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 101.65 -3.463 . . . . 0.0 101.65 -169.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.2 56.84 6.71 Favored Glycine 0 N--CA 1.421 -2.33 1 CA-C-N 108.081 -4.145 . . . . 0.0 112.257 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.866 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.624 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.866 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 -115.42 24.79 11.32 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.9 t60 -42.92 129.86 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 111.209 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' H ' ' HD1' ' A' ' 23' ' ' HIS . 1.5 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.796 0.331 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.7 mt 57.35 177.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.9 11.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.4 10.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.82 103.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.409 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.4 mm 65.0 -141.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.127 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 37.6 mmtm 54.12 25.44 5.64 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 -170.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.43 98.26 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.242 1 CA-C-N 108.208 -4.087 . . . . 0.0 112.42 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' C ' ' H ' ' A' ' 13' ' ' GLY . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.5 t30 47.95 43.49 17.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 24.6 t60 54.92 -114.45 0.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.432 ' H3 ' ' H ' ' A' ' 2' ' ' LEU . 52.3 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' H ' ' H3 ' ' A' ' 1' ' ' PHE . 12.4 mt 53.45 171.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.93 21.69 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.407 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -167.36 -13.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.468 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' H ' ' H ' ' A' ' 4' ' ' ALA . 12.4 tp 57.05 77.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.73 -141.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 15.3 tptm 54.11 25.65 5.82 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 102.237 -3.246 . . . . 0.0 102.237 -170.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.75 84.8 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.044 1 CA-C-N 108.343 -4.026 . . . . 0.0 112.37 -173.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.83 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.83 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 -118.27 29.54 7.72 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.605 ' N ' ' O ' ' A' ' 19' ' ' MET . 42.6 t-80 -165.4 154.87 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.537 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.348 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 55.78 67.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.9 -25.98 74.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.41 170.75 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.3 mp -77.73 22.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.107 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.33 -141.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 41.6 mmtm 53.65 25.67 5.16 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 -170.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 95.44 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.262 -4.063 . . . . 0.0 112.516 -173.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' H ' HG13 ' A' ' 10' ' ' ILE . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 ' C ' ' CD2' ' A' ' 23' ' ' HIS . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' HIS . 11.7 m120 -100.63 -14.19 18.25 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -52.06 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.037 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.551 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.487 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.8 t80 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.8 mt 53.22 9.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.697 0.284 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 77.45 -52.69 3.48 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.954 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -166.56 59.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.6 mp 55.77 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.783 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 53.58 -140.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.583 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 98.7 mttt 53.06 25.74 4.34 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.519 -3.141 . . . . 0.0 102.519 -170.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.38 80.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.133 1 CA-C-N 108.248 -4.069 . . . . 0.0 112.506 -173.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 43.38 52.74 5.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.83 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 54.06 -164.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.485 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.76 80.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.953 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 -38.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -168.7 6.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.37 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.751 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 56.3 mttp 53.69 25.66 5.22 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 -170.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.77 81.41 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 1 CA-C-N 108.237 -4.074 . . . . 0.0 112.449 -173.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.453 ' HD1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 45.08 62.94 1.92 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 49.91 -91.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.507 -1.679 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 74.6 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.6 mp -72.67 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.4 0.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.129 -0.557 . . . . 0.0 111.948 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.58 -168.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.32 66.71 1.81 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.08 -141.16 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.758 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 47.6 mttp 53.74 25.1 4.81 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 -170.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.92 79.11 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.197 -4.092 . . . . 0.0 111.962 -173.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.931 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.931 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 -82.67 -29.05 30.22 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 93.4 m-70 54.27 -174.53 0.04 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.195 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.531 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 3' ' ' GLY . 27.9 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.92 14.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . -65.79 -18.54 66.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.923 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.55 -22.86 50.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.4 mm? -89.5 -6.79 56.11 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.255 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.9 pt -157.36 -157.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' HIS . 90.8 mttt 54.0 25.08 5.14 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 44.2 57.82 4.73 Favored Glycine 0 N--CA 1.421 -2.331 1 CA-C-N 108.08 -4.145 . . . . 0.0 112.391 -173.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' LYS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 23' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.927 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 19' ' ' MET . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.927 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 22' ' ' ASN . 1.1 m-80 -88.4 -23.07 23.44 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -48.07 -63.75 0.98 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.509 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 1.5 m80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.588 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.7 mp -68.21 168.9 11.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.165 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.32 66.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.68 -66.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.21 -62.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.05 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.954 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 50.2 mtpt 53.2 25.87 4.64 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 -170.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 86.74 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.222 -4.081 . . . . 0.0 112.359 -173.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.73 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.73 ' H ' ' CA ' ' A' ' 19' ' ' MET . 7.7 t-20 -101.6 0.62 36.65 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.1 t60 52.22 101.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.548 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.413 ' H3 ' ' H ' ' A' ' 2' ' ' LEU . 85.7 m-85 . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' H ' ' H3 ' ' A' ' 1' ' ' PHE . 16.4 mt -71.77 145.34 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.391 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.3 -42.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.039 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.16 -28.76 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.644 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 7.6 mp -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.295 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm -121.48 -141.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 53.17 25.83 4.57 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 -170.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.26 94.53 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.063 1 CA-C-N 108.277 -4.056 . . . . 0.0 112.169 -173.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.503 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.896 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.896 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 -73.49 -25.72 60.57 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' GLY . 23.0 t-80 58.16 -78.47 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.897 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' ASN . 7.7 p-80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.74 162.1 29.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.61 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.82 -47.51 58.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.03 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.65 174.88 12.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -77.78 64.21 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.1 pt -77.55 -150.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.519 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 55.21 25.35 7.19 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 102.267 -3.234 . . . . 0.0 102.267 -170.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 71.19 0.14 Allowed Glycine 0 N--CA 1.423 -2.197 1 CA-C-N 108.197 -4.092 . . . . 0.0 112.165 -174.089 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.953 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.953 ' H ' ' C ' ' A' ' 19' ' ' MET . 25.2 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 -78.3 -29.1 47.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 39.1 p-80 41.31 24.09 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.425 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.5 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.792 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.0 mp -71.5 128.65 36.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.92 -10.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.36 55.19 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.3 mp 53.62 16.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' C ' ' N ' ' A' ' 8' ' ' GLY . 48.1 pt 37.8 -145.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt 53.74 25.89 5.48 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.579 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.03 87.46 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.331 -4.031 . . . . 0.0 112.195 -173.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' A' ' 9' ' ' ALA . 41.9 t60 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.905 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.905 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -107.27 -18.99 13.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HD1' ' N ' ' A' ' 23' ' ' HIS . 0.7 OUTLIER -45.08 156.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.939 179.725 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.506 179.839 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 34.0 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.767 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.9 mt -71.0 -4.24 23.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.81 -52.64 3.61 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.98 168.31 10.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.748 0.309 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 8.8 mp -74.07 94.6 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.163 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 21.3 pt -149.37 -147.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 54.95 25.85 7.28 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 102.125 -3.287 . . . . 0.0 102.125 -170.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 87.42 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.151 1 CA-C-N 108.269 -4.06 . . . . 0.0 112.374 -173.924 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.454 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.3 p-80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.832 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.832 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.4 OUTLIER -112.83 16.61 19.46 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' MET . 76.6 t60 39.35 22.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.902 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 22' ' ' ASN . 69.6 m80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' GLY . 47.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt 59.63 -77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.749 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 69.71 34.98 73.11 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.846 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 136.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.547 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.8 mm? -75.39 87.22 2.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.022 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.543 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.4 tp -154.34 -147.96 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 63.1 tttm 55.23 25.83 7.78 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 102.13 -3.285 . . . . 0.0 102.13 -170.322 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.543 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.08 73.52 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.073 1 CA-C-N 108.328 -4.033 . . . . 0.0 112.41 -174.082 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -120.06 -29.28 4.95 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 52.74 -96.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 82.2 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.06 -72.16 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.66 45.19 47.95 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.03 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.36 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 51.26 -141.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 54.1 mttm 53.32 25.66 4.67 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 -170.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.64 95.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.273 -4.058 . . . . 0.0 112.223 -173.652 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.508 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.9 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.9 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 -82.26 -31.32 30.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 84.6 m-70 54.1 173.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.375 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.546 -179.917 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' LEU . 53.1 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.737 0.303 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -50.35 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 -179.858 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.61 24.0 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -160.33 -7.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' H ' ' H ' ' A' ' 4' ' ' ALA . 14.4 mt 54.07 19.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.687 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.82 -141.39 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.639 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 92.6 mttt 53.17 25.78 4.53 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.429 -3.175 . . . . 0.0 102.429 -170.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.66 97.16 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.137 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.278 -173.794 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.507 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.94 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.94 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 -83.51 -31.01 26.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 56.7 p-80 42.17 -156.03 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.999 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.8 mt 52.76 -143.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.4 53.51 6.01 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.811 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -164.5 26.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -166.25 -53.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.609 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.6 pt -89.63 -148.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.716 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 53.96 25.97 5.9 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 102.196 -3.261 . . . . 0.0 102.196 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.83 86.46 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.177 1 CA-C-N 108.324 -4.034 . . . . 0.0 112.012 -173.825 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.827 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.827 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -113.08 16.87 19.15 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' MET . 40.6 m80 38.75 22.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASN . 53.6 t-80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt 57.22 160.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -170.33 2.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.82 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -166.81 76.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -163.17 -24.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.089 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.596 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 pp -142.33 -157.31 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.704 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? 56.51 25.78 10.17 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 101.457 -3.534 . . . . 0.0 101.457 -170.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.596 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 90.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.157 0 CA-C-N 108.449 -3.978 . . . . 0.0 112.341 -174.275 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.521 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 13' ' ' GLY . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.929 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.929 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 26.9 t30 -84.74 -29.12 25.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 92.6 m-70 54.55 171.19 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.317 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.521 179.948 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 4' ' ' ALA . 12.0 mt -74.78 177.78 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.69 11.59 4.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.058 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -161.89 92.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.495 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -70.74 81.76 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -150.33 -160.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.913 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.362 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' HIS . 61.9 mttt 54.12 25.23 5.44 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 101.876 -3.379 . . . . 0.0 101.876 -170.182 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.1 57.5 5.49 Favored Glycine 0 N--CA 1.422 -2.267 1 CA-C-N 108.022 -4.172 . . . . 0.0 112.572 -173.83 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.879 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.879 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 -126.95 -32.78 2.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 33.1 m80 51.15 13.04 0.14 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ASN . 75.0 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.509 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.699 0.285 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 4' ' ' ALA . 12.6 mt -72.5 -45.67 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 -7.87 4.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.131 -0.556 . . . . 0.0 111.987 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -55.99 -174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.29 15.77 0.41 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.468 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.4 mm 49.01 -145.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.623 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.195 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tptm 53.67 25.5 5.05 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 102.36 -3.2 . . . . 0.0 102.36 -170.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.89 82.55 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.114 -173.791 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 32.1 m80 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.891 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.891 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -89.05 -31.61 17.97 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 31.7 t-80 47.66 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.695 179.497 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.66 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 30.5 m80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.78 -167.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.82 -70.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.026 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -74.24 -172.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.839 0.352 . . . . 0.0 110.677 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 9.3 mp -77.86 35.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.46 -143.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 30.5 ttmt 53.16 25.54 4.34 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -170.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.31 68.42 0.18 Allowed Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.463 -173.841 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.501 ' C ' ' H ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.943 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 23' ' ' HIS . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.943 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.86 -34.57 10.08 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 16.6 m-70 46.13 -95.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.633 179.944 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 18.8 p90 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.829 0.347 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 4' ' ' ALA . 11.3 tp -71.67 134.62 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 29.51 1.38 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.89 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -165.97 -138.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.635 0.255 . . . . 0.0 110.4 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -161.21 23.13 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.699 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.546 ' C ' ' N ' ' A' ' 8' ' ' GLY . 5.1 tt -71.83 -152.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.742 179.647 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.469 ' H ' HG12 ' A' ' 6' ' ' ILE . 14.6 tptm 55.03 25.76 7.33 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 102.082 -3.303 . . . . 0.0 102.082 -170.476 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.546 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.6 69.06 0.17 Allowed Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.392 -4.004 . . . . 0.0 111.969 -173.673 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' C ' ' H ' ' A' ' 12' ' ' GLY . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.945 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.945 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 -82.07 -31.29 30.9 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.417 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 47.3 t-80 53.02 9.31 0.12 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.857 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.52 176.83 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.308 179.767 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.24 26.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.114 -179.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.26 9.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt 54.7 100.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' C ' ' N ' ' A' ' 8' ' ' GLY . 23.7 pt -147.64 -147.06 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 53.79 26.17 5.81 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 102.234 -3.246 . . . . 0.0 102.234 -170.273 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.87 74.37 0.06 OUTLIER Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 108.488 -3.96 . . . . 0.0 111.794 -173.558 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 12.9 t-160 -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.545 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.891 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.428 ' H ' ' H ' ' A' ' 19' ' ' MET . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.891 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.545 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 -102.6 -13.72 17.03 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -42.67 -23.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.953 179.327 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.53 ' H ' ' HD1' ' A' ' 23' ' ' HIS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.86 -151.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.35 -1.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -164.15 -161.0 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.16 -50.45 0.55 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.163 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.4 tp -133.17 -149.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 19.5 tptm 55.07 25.82 7.47 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 102.148 -3.279 . . . . 0.0 102.148 -170.216 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.02 86.5 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 0 CA-C-N 108.407 -3.997 . . . . 0.0 112.14 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.534 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 45.43 50.26 10.2 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 82.0 t60 56.69 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.595 -179.898 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 55.6 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.605 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.8 mp -69.13 -28.9 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.082 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.33 5.43 6.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.026 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -64.07 -94.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 7' ' ' LYS . 14.7 mt -75.55 -48.71 21.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.51 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.909 ' C ' ' H ' ' A' ' 8' ' ' GLY . 5.2 tt 39.85 27.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 111.569 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' LEU . 98.1 mttt -84.12 28.37 0.62 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 168.192 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.909 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 55.76 73.76 0.39 Allowed Glycine 0 N--CA 1.414 -2.776 0 CA-C-N 108.985 -3.734 . . . . 0.0 111.647 -176.189 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 18.8 p30 44.07 43.27 5.45 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 68.6 m-70 -162.04 78.87 0.53 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 113.802 -1.544 . . . . 0.0 110.266 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 t80 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.819 0.343 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? -68.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.095 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.1 2.7 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.043 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.73 169.49 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.701 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.43 50.61 0.96 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.2 mm 45.2 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.663 -179.876 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt 53.33 25.52 4.58 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 77.78 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.041 1 CA-C-N 108.322 -4.036 . . . . 0.0 112.068 -173.868 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.937 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.937 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -105.11 -33.75 8.18 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.9 m170 43.61 49.42 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.348 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.529 -179.962 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.12 -172.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.48 21.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.897 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.81 -64.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.37 48.58 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.0 pt -75.02 -147.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.526 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 55.3 25.53 7.58 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 102.105 -3.294 . . . . 0.0 102.105 -170.478 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.05 89.16 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.19 -4.096 . . . . 0.0 112.668 -174.17 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 43.69 59.72 2.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 2.1 m-70 56.38 178.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.567 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 65.5 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -166.8 74.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.883 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.42 90.23 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.025 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.53 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? -71.53 -36.36 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.7 pt -98.7 -148.38 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 mttm 53.89 25.99 5.81 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.221 -3.251 . . . . 0.0 102.221 -170.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 78.29 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.306 -4.043 . . . . 0.0 112.309 -174.032 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.885 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.885 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -102.54 -23.71 13.86 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 7.2 p80 -33.76 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.644 179.384 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.4 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 -179.802 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.339 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.82 -21.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.248 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.84 90.16 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.066 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.22 161.4 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.1 mm? 53.98 14.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.1 pt -78.87 -152.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 CA-C-O 119.454 -0.308 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 53.9 25.78 5.63 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 102.177 -3.268 . . . . 0.0 102.177 -170.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.45 90.13 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.301 1 CA-C-N 108.285 -4.052 . . . . 0.0 112.15 -173.821 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.83 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.83 ' H ' ' N ' ' A' ' 19' ' ' MET . 8.7 t-20 -114.72 21.91 14.01 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.551 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 78.6 t60 53.18 171.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.551 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 36.6 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' H1 ' ' H ' ' A' ' 2' ' ' LEU . 60.0 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -164.89 -172.13 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.09 -60.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.82 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 -50.51 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -163.94 -69.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.107 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.558 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 tp -168.15 -148.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.762 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 59.5 tttp 54.92 25.71 7.09 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 -170.298 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.67 77.69 0.04 OUTLIER Glycine 0 N--CA 1.424 -2.132 1 CA-C-N 108.257 -4.065 . . . . 0.0 112.483 -174.103 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.618 ' N ' ' HD1' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 m120 -85.54 -35.65 20.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' HD1' ' N ' ' A' ' 24' ' ' HIS . 30.1 t-80 59.61 148.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.612 178.752 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.631 ' N ' ' HD1' ' A' ' 23' ' ' HIS . 52.8 t-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? -67.41 -14.17 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.02 -10.3 3.3 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.993 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -167.4 -116.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.624 0.25 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.2 30.71 0.09 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.054 0.454 . . . . 0.0 110.233 179.882 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' C ' ' N ' ' A' ' 8' ' ' GLY . 15.8 pt -76.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttm 55.29 25.82 7.87 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.108 -3.293 . . . . 0.0 102.108 -170.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.08 71.87 0.11 Allowed Glycine 0 N--CA 1.424 -2.156 1 CA-C-N 108.244 -4.071 . . . . 0.0 112.086 -173.891 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' CA ' HE21 ' A' ' 21' ' ' GLN . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 -107.01 15.91 24.79 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 32.3 p80 41.01 -165.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.369 179.625 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.93 -156.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.93 -7.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.883 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.27 -170.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.525 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.69 63.47 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.549 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 tp -149.68 -147.24 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-O 119.242 -0.408 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 51.2 mtpt 54.12 25.87 6.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 102.313 -3.217 . . . . 0.0 102.313 -170.259 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.549 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 90.85 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.184 1 CA-C-N 108.361 -4.018 . . . . 0.0 112.518 -174.116 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.8 t30 46.0 61.24 2.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -56.06 163.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.6 -179.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.947 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.812 0.339 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.91 -161.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.62 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.57 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.59 -31.33 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.635 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.43 -148.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 10' ' ' ILE . 70.1 mmtt 54.76 22.15 3.98 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -169.695 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.635 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.39 64.39 2.31 Favored Glycine 0 N--CA 1.419 -2.466 1 CA-C-N 107.957 -4.201 . . . . 0.0 112.79 -175.519 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' O ' ' A' ' 7' ' ' LYS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.655 ' HD1' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.655 ' N ' ' HD1' ' A' ' 17' ' ' HIS . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 46.92 51.27 12.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.413 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 13.4 t-80 -53.26 124.3 14.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.635 -179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' CB ' ' HD1' ' A' ' 23' ' ' HIS . 60.4 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.721 0.296 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 9.2 mp 50.6 49.73 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.935 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -9.43 18.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.928 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -64.63 178.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 7.7 mp -78.17 28.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 45.6 pt 39.51 -143.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.716 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 54.37 25.67 6.22 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -170.46 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.0 99.15 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.211 1 CA-C-N 108.276 -4.056 . . . . 0.0 112.338 -173.886 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' H ' HG13 ' A' ' 10' ' ' ILE . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.626 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.94 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.455 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.94 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.17 -24.15 20.03 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.626 ' CG ' ' H ' ' A' ' 16' ' ' ILE . 2.9 t60 -50.0 -41.42 47.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.609 178.642 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 21' ' ' GLN . 43.3 m-70 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.509 ' C ' ' H ' ' A' ' 3' ' ' GLY . 67.2 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.769 0.319 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.09 28.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 55.25 -93.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.779 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.79 -140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.2 pt? -165.67 47.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.593 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt -140.06 -140.47 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 -179.706 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 40.2 tptt 54.61 25.67 6.59 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 102.21 -3.255 . . . . 0.0 102.21 -170.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 84.56 0.01 OUTLIER Glycine 0 N--CA 1.426 -1.997 1 CA-C-N 108.333 -4.03 . . . . 0.0 112.467 -173.966 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.936 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.936 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.446 HD21 ' C ' ' A' ' 21' ' ' GLN . 1.9 m120 -107.33 -14.17 14.94 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' HD1' ' N ' ' A' ' 23' ' ' HIS . 6.7 p-80 -39.31 105.72 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.289 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.604 -179.873 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 14.9 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt 56.43 95.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.63 61.94 3.2 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.46 48.58 18.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 8.1 mp -70.51 -36.49 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.107 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.6 mt -86.8 -145.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.278 179.729 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 10' ' ' ILE . 7.0 mtpm? 52.99 25.77 4.27 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -170.527 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 82.91 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.155 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.068 -173.591 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.437 ' H ' ' H ' ' A' ' 18' ' ' GLY . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.848 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.848 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -115.57 24.89 11.21 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -160.41 -111.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.397 179.833 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.535 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.9 t60 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.87 -77.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.76 44.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.009 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.62 8.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mt 48.32 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 35.1 pt -147.48 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.29 25.9 4.81 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.35 -3.204 . . . . 0.0 102.35 -170.38 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.0 86.71 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 108.453 -3.976 . . . . 0.0 112.222 -173.89 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.878 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.878 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -89.08 -18.95 26.23 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.46 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -40.29 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.237 179.172 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.497 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 179.854 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.22 159.72 31.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.98 65.26 0.2 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.89 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.49 -44.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.06 -38.8 66.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mm 59.86 -141.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.19 -179.782 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 34.4 ttmt 53.83 25.73 5.48 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 -170.573 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 83.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.161 1 CA-C-N 108.196 -4.093 . . . . 0.0 112.575 -173.923 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 44.67 48.36 8.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -75.75 -72.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.633 -179.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 -179.942 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.5 mp -72.16 151.24 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.97 -53.44 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.046 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.76 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.723 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.0 mp -62.75 -50.5 70.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.19 -179.937 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' C ' ' N ' ' A' ' 8' ' ' GLY . 5.9 tt -92.16 -150.12 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 119.087 -0.483 . . . . 0.0 109.781 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.481 ' H ' HG12 ' A' ' 6' ' ' ILE . 2.0 mptm? 54.99 25.98 7.49 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -170.269 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.567 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 81.9 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 0 CA-C-N 108.511 -3.949 . . . . 0.0 112.283 -173.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 8.1 p30 42.67 59.02 2.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.27 -74.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.65 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.506 -179.859 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 50.6 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 10.9 mt -75.18 159.2 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.515 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.4 -36.28 75.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.929 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.29 156.26 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.64 85.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.5 pt -147.71 -146.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.897 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 53.94 26.07 5.96 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 102.247 -3.242 . . . . 0.0 102.247 -170.223 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 78.15 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.353 -4.022 . . . . 0.0 112.221 -173.963 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.899 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.899 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.518 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 44.55 63.1 1.79 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -69.39 120.79 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.551 -1.659 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.927 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.07 57.75 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.46 2.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.102 -0.57 . . . . 0.0 111.891 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.6 -125.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.71 57.53 0.74 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.066 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.6 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mt 50.23 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 57.9 mttm 53.34 25.16 4.29 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 102.637 -3.098 . . . . 0.0 102.637 -170.592 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.83 79.1 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.194 -4.093 . . . . 0.0 112.161 -174.017 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 18' ' ' GLY . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.808 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' N ' ' C ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.808 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 -116.1 24.37 11.48 Favored 'General case' 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 19' ' ' MET . 46.5 t60 54.38 165.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.424 . . . . 0.0 110.859 179.423 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.512 179.971 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.319 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? -72.91 140.86 47.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.08 -179.976 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.31 6.69 5.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.982 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . 54.99 75.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.18 20.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 tp -144.16 -148.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.035 179.862 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 52.8 mtpt 53.86 25.2 5.05 Favored 'General case' 0 C--N 1.345 0.393 0 N-CA-C 102.543 -3.132 . . . . 0.0 102.543 -170.531 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.21 70.68 0.15 Allowed Glycine 0 N--CA 1.424 -2.114 1 CA-C-N 108.202 -4.09 . . . . 0.0 112.094 -174.156 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.89 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.89 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 -127.83 -30.14 2.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 20.2 p80 41.16 92.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.216 178.987 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.328 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.5 145.85 55.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.9 63.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.932 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.59 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.657 0.265 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 9.7 mp -65.48 -15.5 62.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.129 179.919 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -127.1 -144.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? 54.76 25.87 7.03 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 102.182 -3.266 . . . . 0.0 102.182 -170.425 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 66.98 0.18 Allowed Glycine 0 N--CA 1.426 -2.028 1 CA-C-N 108.372 -4.013 . . . . 0.0 112.121 -173.778 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' H ' ' CG1' ' A' ' 10' ' ' ILE . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 80.0 t60 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 46.99 50.76 13.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 55.76 -175.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.7 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.918 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? 53.06 35.43 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.84 46.11 94.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.869 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.7 70.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 51.83 17.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.997 -179.869 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.6 tt 37.82 -156.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 -179.78 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 17.6 tptp 56.5 25.64 9.97 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 101.909 -3.367 . . . . 0.0 101.909 -170.22 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.23 82.8 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.176 1 CA-C-N 108.33 -4.032 . . . . 0.0 112.3 -174.102 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 30.9 m80 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.537 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 48.38 64.69 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 20' ' ' ILE . 34.9 m170 -80.67 -104.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.024 179.307 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 62.3 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.1 mt -70.68 -24.72 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.851 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.99 48.66 77.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.912 179.969 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.03 103.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.61 4.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.035 -179.974 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.902 ' C ' ' H ' ' A' ' 8' ' ' GLY . 22.1 pt -157.84 18.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.16 179.334 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . 29.7 mmtp -85.13 28.04 0.74 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 100.367 -3.938 . . . . 0.0 100.367 167.57 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.902 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 67.94 49.49 47.7 Favored Glycine 0 N--CA 1.416 -2.671 0 CA-C-N 108.82 -3.809 . . . . 0.0 111.57 -176.625 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' LYS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 45.17 58.92 3.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -166.06 131.01 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.943 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.735 0.302 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.1 mp -70.42 -88.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.081 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.08 10.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.865 -179.986 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.61 167.59 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.23 16.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.31 -140.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 -179.864 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 54.6 mttm 53.4 25.73 4.84 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 -170.468 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.71 84.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.06 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.331 -173.672 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.618 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 t-20 42.13 59.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 59.37 104.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.604 179.98 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.85 -172.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.76 0.64 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.048 -179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 -141.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.683 0.278 . . . . 0.0 110.614 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.94 -21.94 66.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' C ' ' N ' ' A' ' 8' ' ' GLY . 47.7 pt 39.23 -143.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.793 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 53.37 25.88 4.91 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 -170.394 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.566 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.68 95.09 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.242 -173.735 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.511 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.5 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 19' ' ' MET . 1.6 p-10 44.13 48.19 7.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 t60 47.99 100.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 113.986 -1.461 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.943 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.96 -165.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 50.44 0.19 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.836 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.56 -49.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.567 -179.909 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.15 -57.44 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.0 pt -78.22 -152.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.4 tttt 55.22 25.55 7.44 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 102.008 -3.33 . . . . 0.0 102.008 -170.549 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.611 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 81.32 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.217 1 CA-C-N 108.192 -4.095 . . . . 0.0 112.256 -173.837 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.959 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.959 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 -83.25 -28.5 29.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 15.5 p80 40.2 23.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.408 179.609 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.2 t60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.56 160.69 32.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.4 4.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.986 -179.985 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . -169.98 -0.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.1 mm? 55.03 109.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.7 mt 55.39 -140.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 31.3 tptt 53.81 25.1 4.9 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.565 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.14 82.67 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.012 1 CA-C-N 108.341 -4.027 . . . . 0.0 112.198 -173.974 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 -112.28 14.39 20.49 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' MET . 96.4 m-70 41.73 18.66 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.725 179.483 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 22' ' ' ASN . 49.1 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.514 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.71 -171.43 3.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.588 -179.907 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.95 46.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.018 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.7 -21.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.481 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp 60.83 21.44 11.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.585 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.9 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.693 -179.953 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 50.9 mttp 53.46 25.76 4.96 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -170.455 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.585 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.63 78.83 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.113 1 CA-C-N 108.281 -4.054 . . . . 0.0 112.396 -173.787 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' A' ' 9' ' ' ALA . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.619 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 17' ' ' HIS . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.619 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 39.56 58.66 1.96 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -78.49 -4.62 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.669 -179.822 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 -179.989 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.769 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 53.05 -148.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.765 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.3 36.28 0.4 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 -179.939 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -166.07 -16.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 110.103 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' H ' ' H ' ' A' ' 4' ' ' ALA . 19.1 tp 54.11 91.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.785 179.591 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.8 mm -126.41 -139.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.305 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' H ' HG23 ' A' ' 6' ' ' ILE . 51.7 mttp 51.85 25.81 3.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 102.696 -3.075 . . . . 0.0 102.696 -171.06 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 79.34 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.097 1 CA-C-N 108.215 -4.084 . . . . 0.0 112.351 -173.487 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' C ' ' H ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.919 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.919 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 13.0 m120 -80.23 -31.33 38.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.6 p-80 41.61 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.715 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 22' ' ' ASN . 4.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -167.0 -69.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.24 11.19 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.16 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' GLY . 21.4 mt -75.14 6.39 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.753 -179.844 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.91 -140.93 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.632 179.999 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 49.5 mtpt 52.86 25.74 4.12 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.516 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.45 78.6 0.02 OUTLIER Glycine 0 N--CA 1.426 -2.031 1 CA-C-N 108.304 -4.044 . . . . 0.0 112.324 -173.667 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.765 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.54 ' N ' ' SD ' ' A' ' 19' ' ' MET . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 19' ' ' MET . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.765 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -106.71 17.01 23.79 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.2 t-80 50.21 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ASN . 10.6 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.827 0.346 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 4' ' ' ALA . 7.3 mp -73.49 -59.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.63 -35.96 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.935 179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -168.59 -178.28 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 110.412 179.944 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 7.9 mp -76.95 108.87 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt -141.79 -143.82 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.408 179.722 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 58.1 mttm 53.25 25.82 4.68 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 -170.523 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.3 87.76 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.377 -4.011 . . . . 0.0 112.256 -173.796 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 14' ' ' ARG . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.565 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 53.23 45.12 29.22 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -55.08 113.25 1.29 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.919 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' H3 ' ' H ' ' A' ' 2' ' ' LEU . 99.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.6 mp -74.7 130.23 39.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.113 179.935 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.46 62.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.01 -167.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.993 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.46 85.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.915 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -147.28 -149.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.786 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 54.05 26.11 6.17 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.181 -3.266 . . . . 0.0 102.181 -170.19 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.42 80.69 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.152 1 CA-C-N 108.345 -4.025 . . . . 0.0 112.235 -173.947 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.912 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.912 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.45 -15.79 14.14 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -38.85 -95.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.235 179.553 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.633 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 86.4 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.79 0.329 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.42 -140.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 23.25 68.5 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.864 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.0 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.48 -12.47 60.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.9 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 tp -164.51 -145.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.614 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 48.3 mtpt 54.07 25.93 6.03 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 -170.184 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.07 79.2 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.195 1 CA-C-N 108.342 -4.026 . . . . 0.0 112.336 -173.987 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 44.05 59.33 3.23 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.19 123.96 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.509 179.962 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.47 -179.992 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.5 mp -75.2 -28.1 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.998 179.856 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.77 1.84 4.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.974 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -74.3 165.84 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.4 mp -74.89 3.03 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.5 tt 38.05 -156.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.949 -179.77 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 81.4 tttt 56.0 25.78 9.19 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.19 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.38 80.65 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.218 1 CA-C-N 108.316 -4.038 . . . . 0.0 112.241 -174.04 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 41.56 53.9 3.76 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 86.2 t60 55.62 -111.52 0.63 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.518 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.807 0.337 . . . . 0.0 110.639 179.961 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 4' ' ' ALA . 18.1 mt -68.65 -166.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.995 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.01 22.07 1.57 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.319 -0.467 . . . . 0.0 111.975 -179.924 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -169.91 158.6 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 8.8 mp -78.39 57.93 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mm 46.91 -142.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.989 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 53.74 25.21 4.89 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 102.66 -3.089 . . . . 0.0 102.66 -170.581 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.46 74.3 0.06 OUTLIER Glycine 0 N--CA 1.424 -2.109 1 CA-C-N 108.234 -4.075 . . . . 0.0 112.172 -173.997 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.682 ' H ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.2 t-20 -117.72 29.71 7.68 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 19' ' ' MET . 24.7 t-80 -69.97 80.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.335 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.765 0.317 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -161.46 177.28 10.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.725 -179.931 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.86 -12.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.963 -179.922 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.52 -150.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -75.15 97.31 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.12 179.926 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt -144.48 -142.05 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 179.759 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 80.5 mttt 53.61 25.73 5.16 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 102.469 -3.159 . . . . 0.0 102.469 -170.648 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.09 69.47 0.12 Allowed Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.293 -4.049 . . . . 0.0 112.461 -173.841 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.831 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.831 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 -115.31 24.78 11.35 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 m-70 48.26 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.52 179.988 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.7 mp 53.42 -95.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.93 49.6 41.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.888 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.19 -20.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tt 51.48 84.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.219 179.906 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' C ' ' N ' ' A' ' 8' ' ' GLY . 6.6 tt -166.45 -148.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.116 -179.844 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' H ' HG12 ' A' ' 6' ' ' ILE . 56.9 tttm 55.7 25.82 8.68 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 102.143 -3.28 . . . . 0.0 102.143 -170.333 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.41 79.34 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.135 1 CA-C-N 108.287 -4.052 . . . . 0.0 112.411 -173.968 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.975 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.975 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.31 -35.44 6.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 48.49 -132.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.633 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.672 -179.997 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 4' ' ' ALA . 7.7 mp -67.74 154.4 41.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.231 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.88 32.21 1.26 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.277 -0.487 . . . . 0.0 111.905 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . 55.48 52.41 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.522 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.4 11.57 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.4 pt -145.02 -145.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.452 179.909 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 mttt 53.76 25.96 5.58 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 -170.376 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.09 75.73 0.05 OUTLIER Glycine 0 N--CA 1.425 -2.066 1 CA-C-N 108.346 -4.025 . . . . 0.0 112.377 -173.814 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.894 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.894 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' HIS . 16.6 m120 -84.45 -31.37 24.63 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.6 t60 59.36 3.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.015 178.998 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ASN . 32.9 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 3' ' ' GLY . 24.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.336 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? -79.04 18.21 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.138 -179.961 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 57.14 46.54 91.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.939 -179.941 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -164.03 -8.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.4 mp 51.93 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.23 179.922 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.4 pt -148.37 -146.61 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.686 179.885 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt 54.05 25.95 6.01 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.237 -3.245 . . . . 0.0 102.237 -170.252 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 82.78 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.199 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.419 -174.039 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 9' ' ' ALA . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 -85.09 -38.8 18.68 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' H ' ' C ' ' A' ' 18' ' ' GLY . 15.2 m-70 75.67 -162.64 0.06 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.598 178.838 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.961 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.855 0.359 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -77.59 45.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.25 -29.75 16.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.946 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.37 166.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.87 45.68 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 49.27 -139.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 65.8 mttm 53.02 25.81 4.33 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.409 -3.182 . . . . 0.0 102.409 -170.533 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.613 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.04 87.83 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.194 -4.094 . . . . 0.0 112.422 -173.779 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 9' ' ' ALA . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' GLY . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.851 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.4 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.851 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 -117.19 28.28 8.59 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.1 t-80 -49.57 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.5 179.979 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.22 -37.64 61.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.58 38.13 95.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.052 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -170.73 -67.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 10.0 mp -77.91 28.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.228 -179.946 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -77.73 -148.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 54.23 26.17 6.51 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.088 -3.301 . . . . 0.0 102.088 -170.249 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.66 89.6 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.165 1 CA-C-N 108.251 -4.068 . . . . 0.0 112.253 -174.0 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.524 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.881 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 14' ' ' ARG . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.881 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 42.08 61.11 2.05 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 51.96 -178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.195 -179.856 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.571 179.938 . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.798 0.332 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.44 86.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.389 179.964 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.75 53.42 3.66 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.331 -0.462 . . . . 0.0 111.996 -179.972 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.98 123.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.765 0.316 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.46 95.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.3 pt -147.89 -145.83 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.936 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.86 25.92 5.7 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 -170.361 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.37 88.19 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.111 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.269 -173.915 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.2 p30 44.41 58.88 3.56 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -70.04 84.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.494 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.409 ' H1 ' ' H ' ' A' ' 2' ' ' LEU . 53.7 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -48.03 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.802 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.43 -11.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -179.962 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -163.11 -163.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.919 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt 60.66 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.794 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 mm 49.27 -148.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 -179.561 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 11' ' ' HIS . 4.6 mptp? 53.1 24.77 3.73 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 -170.421 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.97 82.87 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.015 1 CA-C-N 108.376 -4.011 . . . . 0.0 113.238 -174.445 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' H ' HG21 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.912 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.449 ' H ' ' H ' ' A' ' 19' ' ' MET . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.912 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 62.8 t30 -116.97 -30.95 5.55 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 34.4 p80 40.56 26.72 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.201 179.829 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' ASN . 7.7 t60 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.448 -179.774 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 159.97 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.12 -29.4 74.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.783 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.77 142.1 37.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tp -90.29 52.09 2.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.455 179.919 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 51.35 -140.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 24.8 mtmm 53.69 25.77 5.31 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -170.38 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.586 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.61 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.142 1 CA-C-N 108.317 -4.038 . . . . 0.0 112.431 -173.962 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.0 t30 44.64 48.2 8.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -75.8 151.66 37.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.222 -1.353 . . . . 0.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.939 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.77 176.24 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 15.64 0.04 OUTLIER Glycine 0 C--N 1.332 0.323 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -179.807 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.51 -27.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.551 -179.882 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.7 mp -77.14 -9.11 58.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.594 ' C ' ' N ' ' A' ' 8' ' ' GLY . 14.7 pt -76.77 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.823 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 55.25 25.67 7.64 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 -170.385 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.21 84.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.193 -173.845 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' H ' ' H ' ' A' ' 12' ' ' GLY . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.937 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.937 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.7 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 -80.65 -27.26 37.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' GLY . 51.9 t-80 55.34 -87.08 0.02 OUTLIER 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.662 179.612 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ASN . 9.1 t-80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.2 mp -67.53 161.39 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.08 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.58 33.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 179.989 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -169.22 -29.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 110.486 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 9.7 mp -76.31 16.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 -179.927 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -145.94 -151.4 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 179.798 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm 55.23 25.86 7.8 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 -170.219 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.19 84.08 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.467 -174.204 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.545 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 45.38 46.08 10.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . 85.1 m-70 58.31 154.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.412 -179.666 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.545 -179.935 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.41 132.71 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.26 -30.98 72.17 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.58 -174.44 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -77.47 85.17 3.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.605 ' C ' ' N ' ' A' ' 8' ' ' GLY . 4.0 mm -87.27 -143.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.249 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.599 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 26.0 mtmm 52.75 25.64 3.95 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 102.607 -3.108 . . . . 0.0 102.607 -170.653 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.82 71.35 0.12 Allowed Glycine 0 N--CA 1.423 -2.233 1 CA-C-N 108.178 -4.101 . . . . 0.0 112.469 -173.903 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' H ' ' A' ' 13' ' ' GLY . 5.0 p-80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.959 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.959 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.88 -34.5 7.61 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 1.3 t60 52.69 -106.37 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.086 179.806 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 p-80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.22 -152.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.31 24.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.174 -179.979 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.93 -13.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.713 0.292 . . . . 0.0 110.625 179.951 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.0 mt 53.3 100.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.409 -179.956 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.89 ' C ' ' H ' ' A' ' 8' ' ' GLY . 16.1 pt -149.91 32.53 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -86.38 28.74 0.82 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 100.584 -3.858 . . . . 0.0 100.584 168.067 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.89 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 54.16 74.0 0.35 Allowed Glycine 0 N--CA 1.414 -2.826 0 CA-C-N 108.871 -3.786 . . . . 0.0 111.459 -175.875 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 21.2 t-160 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 45.01 50.55 9.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.64 -64.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.139 -1.392 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.996 . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp 59.0 17.5 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.39 19.22 39.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.04 -179.887 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -168.6 125.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 -179.948 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.02 13.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.939 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.618 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.24 -139.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.735 -179.983 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 34.4 mmtm 53.85 25.66 5.45 Favored 'General case' 0 C--N 1.345 0.413 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 -170.504 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.9 82.05 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.291 -4.05 . . . . 0.0 112.438 -173.767 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 43.34 51.14 5.98 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 47.38 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 113.805 -1.543 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.974 . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt 51.27 -161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.45 -63.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.017 179.994 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -164.18 -0.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -74.8 13.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.13 179.961 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 6.0 tt -158.96 -149.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.062 -179.939 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' H ' HG12 ' A' ' 6' ' ' ILE . 43.9 mmtm 54.27 25.87 6.27 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 -170.167 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 88.25 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.371 -4.013 . . . . 0.0 112.305 -174.015 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.496 ' C ' ' H ' ' A' ' 13' ' ' GLY . 7.9 p-80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.93 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.93 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -76.3 -29.36 57.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 13.6 t60 55.37 97.28 0.02 OUTLIER 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.28 145.89 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.961 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.11 -54.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.01 -179.993 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.59 -5.13 49.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.811 0.339 . . . . 0.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp 54.19 83.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.536 ' C ' ' N ' ' A' ' 8' ' ' GLY . 5.0 tt -149.68 -152.17 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 77.7 tttt 56.13 25.71 9.35 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 101.977 -3.342 . . . . 0.0 101.977 -170.17 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.45 83.91 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 1 CA-C-N 108.391 -4.004 . . . . 0.0 112.414 -174.186 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.461 ' H ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.934 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.538 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.934 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -84.82 -31.5 23.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.417 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 77.1 t60 53.8 8.32 0.15 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.902 179.672 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 22' ' ' ASN . 59.5 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.288 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 082 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 8.9 mp -67.23 169.76 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.036 179.915 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.51 41.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.991 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.28 -3.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 105.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 179.959 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 10.8 pt -96.84 -147.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.788 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 54.36 25.71 6.25 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 102.282 -3.229 . . . . 0.0 102.282 -169.898 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.91 83.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 108.52 -3.945 . . . . 0.0 112.033 -173.646 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 15' ' ' PHE . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' CE2' ' NE2' ' A' ' 24' ' ' HIS . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.902 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.902 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -107.15 -11.42 15.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.618 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -38.93 -91.8 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.134 179.412 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.618 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 25.0 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 083 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -75.02 164.54 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.1 -47.34 54.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.024 -179.94 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.3 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.74 16.06 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.109 -179.936 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.08 -140.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 51.3 mttp 53.86 25.75 5.54 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -170.396 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.44 84.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.268 -173.741 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.612 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 37.82 60.4 1.18 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -59.54 -50.02 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.648 -179.907 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 3.2 t60 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 084 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 tt -71.94 85.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 -179.951 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 86.35 0.74 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.889 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -173.17 -89.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 179.893 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -54.08 -13.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.202 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.1 pt -146.39 -148.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 -179.818 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 tttm 55.74 25.29 8.14 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 102.221 -3.252 . . . . 0.0 102.221 -170.043 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.07 71.02 0.13 Allowed Glycine 0 N--CA 1.425 -2.096 1 CA-C-N 108.29 -4.05 . . . . 0.0 112.345 -174.448 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 12' ' ' GLY . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.585 ' CG2' ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.585 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 42.18 60.9 2.14 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.42 -67.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 -179.862 . . . . . . . . 0 0 . 1 . 085 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 78.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 mt 53.64 -157.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.42 5.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.155 179.984 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -60.77 -149.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.771 0.32 . . . . 0.0 110.497 179.947 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.3 23.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt 50.31 -143.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 29.9 mmtp 53.65 25.65 5.14 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 102.323 -3.214 . . . . 0.0 102.323 -170.461 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.73 86.82 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.049 1 CA-C-N 108.315 -4.039 . . . . 0.0 112.262 -173.829 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 9' ' ' ALA . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 13.6 p30 41.28 54.33 3.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 53.06 89.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.897 -1.502 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 -179.983 . . . . . . . . 0 0 . 1 . 086 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.331 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 086 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.25 -17.42 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 -179.948 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.76 37.12 51.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.87 180.0 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.41 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.34 77.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -127.72 -148.86 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 55.14 25.82 7.6 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 -170.317 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.85 94.65 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.334 -4.03 . . . . 0.0 112.164 -173.955 . . . . . . . . 3 3 . 1 . 086 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.482 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 1 1 . 1 . 086 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.862 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.625 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.862 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 -114.92 23.21 12.77 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 9.6 m-70 46.54 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 086 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' O ' ' A' ' 2' ' ' LEU . 70.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' CE2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -87.91 158.29 18.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.1 179.973 . . . . . . . . 3 3 . 1 . 087 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.33 -6.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 -179.992 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.59 9.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.284 179.955 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -37.43 87.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.078 -179.906 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -110.23 -142.69 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 53.3 mttm 53.43 25.89 5.02 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 102.435 -3.172 . . . . 0.0 102.435 -170.439 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.7 75.36 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.937 1 CA-C-N 108.311 -4.04 . . . . 0.0 111.974 -173.493 . . . . . . . . 3 3 . 1 . 087 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 1 1 . 1 . 087 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.905 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.905 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 -84.09 -31.13 25.47 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 80.0 t60 46.98 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 087 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.564 179.983 . . . . . . . . 0 0 . 1 . 088 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 088 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.36 -41.43 89.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.05 -57.54 4.85 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.727 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.27 -165.56 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 0.0 110.313 179.854 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.28 56.16 1.85 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.194 179.885 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -136.38 -142.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 33.2 ttmt 53.75 25.71 5.35 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 -170.479 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.49 84.86 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.121 1 CA-C-N 108.247 -4.069 . . . . 0.0 112.655 -173.932 . . . . . . . . 3 3 . 1 . 088 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 46.75 49.84 13.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 2 2 . 1 . 088 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -56.62 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.647 -179.826 . . . . . . . . 1 1 . 1 . 088 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.55 -179.937 . . . . . . . . 0 0 . 1 . 089 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 089 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 4' ' ' ALA . 17.4 mt -65.91 -24.08 66.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 179.995 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.15 -39.51 1.41 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.892 -179.935 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -165.16 -176.68 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.443 179.971 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.94 103.73 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 -179.94 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.2 pt -146.88 -149.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.308 179.745 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt 53.86 25.87 5.66 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 -170.447 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 79.29 0.03 OUTLIER Glycine 0 N--CA 1.423 -2.179 1 CA-C-N 108.259 -4.064 . . . . 0.0 112.255 -173.769 . . . . . . . . 3 3 . 1 . 089 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 12' ' ' GLY . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.93 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.93 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 -85.79 -32.62 21.71 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 2 2 . 1 . 089 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 58.04 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.62 179.086 . . . . . . . . 1 1 . 1 . 089 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASN . 8.4 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 090 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.7 mp -65.59 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.93 39.5 94.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.052 179.888 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.39 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.88 -4.46 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 5.4 tt -160.19 -149.37 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.124 179.968 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' H ' HG12 ' A' ' 6' ' ' ILE . 66.1 mmtt 55.12 25.96 7.72 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 102.086 -3.301 . . . . 0.0 102.086 -169.966 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.53 76.92 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.87 0 CA-C-N 108.495 -3.957 . . . . 0.0 112.073 -173.818 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' H ' ' H ' ' A' ' 12' ' ' GLY . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 45.2 61.63 2.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 64.0 t-80 -72.95 161.36 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.742 -179.821 . . . . . . . . 2 2 . 1 . 090 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 12.6 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LEU . 51.8 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -46.81 174.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.851 . . . . . . . . 3 3 . 1 . 091 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.89 -12.3 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.171 -179.888 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.02 94.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -172.06 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 179.833 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' C ' ' N ' ' A' ' 8' ' ' GLY . 27.6 pt -108.93 -146.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.88 25.97 5.76 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 102.215 -3.254 . . . . 0.0 102.215 -170.269 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.614 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.87 78.53 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.095 1 CA-C-N 108.348 -4.024 . . . . 0.0 112.298 -174.016 . . . . . . . . 3 3 . 1 . 091 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 HH11 ' C ' ' A' ' 24' ' ' HIS . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.885 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.885 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' HIS . 51.2 t30 -107.57 -24.71 11.67 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 2 2 . 1 . 091 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 51.24 -86.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 091 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' ASN . 23.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 179.722 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 092 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 4' ' ' ALA . 11.3 mt -75.0 150.59 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.455 -179.999 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.8 -9.13 4.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.928 179.934 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -72.99 135.61 45.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 7.2 mp -77.38 34.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.609 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 tp -79.96 -150.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.043 179.736 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 49.2 mttp 53.3 25.41 4.44 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -170.484 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.03 83.42 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.349 1 CA-C-N 108.267 -4.06 . . . . 0.0 112.486 -174.062 . . . . . . . . 3 3 . 1 . 092 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' C ' ' H ' ' A' ' 13' ' ' GLY . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.612 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.576 ' H ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.7 p-10 43.8 50.53 6.85 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 24.9 p80 40.63 48.45 2.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 113.816 -1.538 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 092 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.772 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 093 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.13 178.28 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.925 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.62 16.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.894 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.48 -17.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.92 -51.03 71.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.725 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.8 pt -84.37 -151.16 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.115 179.519 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm 55.38 25.33 7.5 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 102.142 -3.281 . . . . 0.0 102.142 -170.662 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.14 79.15 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.254 1 CA-C-N 108.158 -4.11 . . . . 0.0 112.27 -173.902 . . . . . . . . 3 3 . 1 . 093 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.514 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.462 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' H ' ' N ' ' A' ' 19' ' ' MET . 3.4 p30 44.56 49.78 8.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 2 2 . 1 . 093 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -52.23 -33.0 39.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 093 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.504 179.987 . . . . . . . . 0 0 . 1 . 094 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 094 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -51.66 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.908 . . . . . . . . 3 3 . 1 . 094 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.76 31.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.927 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.91 162.22 11.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -78.31 74.51 4.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.429 -179.928 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.2 mt 54.68 -137.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 84.1 mttt 53.61 25.52 4.98 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 -170.5 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.612 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.24 80.03 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.957 1 CA-C-N 108.255 -4.066 . . . . 0.0 112.304 -173.744 . . . . . . . . 3 3 . 1 . 094 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.9 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.9 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 -84.24 -36.58 22.61 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 18' ' ' GLY . 12.2 m170 61.43 -179.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.546 179.26 . . . . . . . . 2 2 . 1 . 094 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.547 ' N ' ' HD1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.995 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 095 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 4' ' ' ALA . 8.7 mp -69.79 175.07 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.133 -179.877 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.6 36.28 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.02 -179.964 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . 56.16 -158.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.522 179.963 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt 56.05 21.78 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 -179.857 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.565 ' C ' ' N ' ' A' ' 8' ' ' GLY . 5.4 tt -147.24 -152.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.633 179.585 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' H ' HG12 ' A' ' 6' ' ' ILE . 52.1 mtpt 53.66 25.84 5.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.348 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.28 68.49 0.21 Allowed Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.272 -4.058 . . . . 0.0 112.02 -173.873 . . . . . . . . 3 3 . 1 . 095 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.3 t-20 43.78 48.58 6.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 2 2 . 1 . 095 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -78.73 -2.58 40.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 095 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 42.5 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 3' ' ' GLY . 74.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? 51.63 14.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.13 -179.91 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 72.32 -80.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.019 179.989 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.98 135.47 36.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.497 -179.898 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.62 70.73 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 36.2 pt -139.55 -142.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 53.59 25.85 5.23 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 102.347 -3.205 . . . . 0.0 102.347 -170.465 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.03 83.36 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.14 0 CA-C-N 108.408 -3.996 . . . . 0.0 112.413 -173.963 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 9' ' ' ALA . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.89 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.433 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.89 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 24' ' ' HIS . 7.9 t-20 -115.13 -15.84 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 2 2 . 1 . 096 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 m170 42.21 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 179.687 . . . . . . . . 1 1 . 1 . 096 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.0 p80 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.471 ' H1 ' ' H ' ' A' ' 2' ' ' LEU . 97.3 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' H ' ' H1 ' ' A' ' 1' ' ' PHE . 9.3 mp -61.16 -88.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.081 -179.959 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.06 42.69 96.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.081 179.926 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -163.33 -58.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.48 35.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.785 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.913 ' C ' ' H ' ' A' ' 8' ' ' GLY . 21.9 pt -154.4 31.09 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -85.09 27.99 0.74 Allowed 'General case' 0 C--O 1.231 0.125 0 N-CA-C 100.908 -3.738 . . . . 0.0 100.908 168.279 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.913 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 56.2 84.61 0.03 OUTLIER Glycine 0 N--CA 1.412 -2.904 0 CA-C-N 108.815 -3.811 . . . . 0.0 111.808 -176.288 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' C ' ' H ' ' A' ' 13' ' ' GLY . 18.7 m80 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 45.21 60.94 2.76 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 2 2 . 1 . 097 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -68.81 129.49 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.947 -1.479 . . . . 0.0 110.418 179.79 . . . . . . . . 1 1 . 1 . 097 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.446 -179.88 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 098 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.47 93.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.67 -73.71 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.899 -179.917 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.58 -42.73 11.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.921 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -167.09 -60.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 -179.909 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.6 ' C ' ' N ' ' A' ' 8' ' ' GLY . 6.6 tt -167.2 -148.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 64.0 mttm 54.04 24.91 5.05 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 102.683 -3.08 . . . . 0.0 102.683 -170.386 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.92 74.82 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.145 -4.116 . . . . 0.0 111.884 -174.117 . . . . . . . . 3 3 . 1 . 098 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t-20 45.68 49.43 11.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 2 2 . 1 . 098 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -61.52 121.97 14.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 098 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.503 179.989 . . . . . . . . 0 0 . 1 . 099 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.756 0.313 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 099 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.58 -149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.463 179.892 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.49 -44.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.05 -179.989 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -59.95 152.18 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 -179.866 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.62 43.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 -179.986 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.581 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.39 -139.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' H ' ' CG2' ' A' ' 6' ' ' ILE . 19.0 mtpp 52.95 25.8 4.25 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 102.437 -3.172 . . . . 0.0 102.437 -170.41 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.88 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.055 1 CA-C-N 108.297 -4.047 . . . . 0.0 112.446 -173.831 . . . . . . . . 3 3 . 1 . 099 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' ALA . 53.9 t60 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 1 1 . 1 . 099 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.583 ' H ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 -115.28 24.19 11.84 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' MET . 20.4 t-160 -50.74 -66.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 179.907 . . . . . . . . 2 2 . 1 . 099 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 0 0 . 1 . 100 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 100 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.63 172.1 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.36 -15.39 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.965 179.99 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.25 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.531 -179.951 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.47 -9.82 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.955 ' C ' ' H ' ' A' ' 8' ' ' GLY . 3.2 mm 50.3 34.7 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.674 179.968 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -85.66 28.76 0.74 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 168.33 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.955 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 52.57 66.3 2.75 Favored Glycine 0 N--CA 1.412 -2.928 0 CA-C-N 108.905 -3.77 . . . . 0.0 111.624 -175.932 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.622 ' CG2' ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.622 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.522 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 p30 44.02 52.31 6.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 2 2 . 1 . 100 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 54.85 -173.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 100 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 10' ' ' ILE . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.1 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.122 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.862 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.862 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 27.0 t30 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.314 0.396 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.532 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.235 0 CA-C-O 121.346 0.415 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.52 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.844 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.57 ' N ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.844 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 . . . . . 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.2 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG22 ' A' ' 10' ' ' ILE . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.843 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.843 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 . . . . . 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.024 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.823 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.823 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.237 0 CA-C-O 121.325 0.403 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' ILE . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 17' ' ' HIS . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.783 ' H ' HG23 ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.642 ' H ' HG21 ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.3 p-10 . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . . . . . . 0 N--CA 1.421 -2.333 0 CA-C-O 121.203 0.335 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.784 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.784 ' H ' ' CA ' ' A' ' 19' ' ' MET . 29.3 m-20 . . . . . 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.33 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.84 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' H ' ' H ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.84 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 . . . . . 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.242 0 CA-C-O 121.091 0.273 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 29.5 t30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.044 0 CA-C-O 121.316 0.398 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 . . . . . 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 CA-C-O 121.301 0.389 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.133 0 CA-C-O 121.348 0.416 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.251 0.361 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 10' ' ' ILE . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.331 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 20' ' ' ILE . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.886 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 20' ' ' ILE . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.886 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.127 0 CA-C-O 121.331 0.406 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.701 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' N ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.701 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 CA-C-O 121.306 0.392 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.889 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.889 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.423 -2.197 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.859 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.859 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.0 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.271 0.373 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ALA . 60.3 t-80 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.151 0 CA-C-O 121.232 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.811 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.558 ' H ' ' H ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.811 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.2 t-20 . . . . . 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.073 0 CA-C-O 121.402 0.446 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.817 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.573 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.817 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 CA-C-O 121.241 0.356 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.867 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.664 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.867 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.137 0 CA-C-O 121.281 0.378 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 82.0 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 26.7 t-20 . . . . . 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 CA-C-O 121.221 0.345 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.1 t-20 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.267 0 CA-C-O 121.119 0.289 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.86 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.86 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 N-CA-C 112.114 -0.394 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 73.3 m-70 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.811 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.811 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.111 0.284 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 16' ' ' ILE . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.847 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.847 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.127 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.882 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.882 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.989 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.554 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.827 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.827 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.057 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.607 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.607 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.573 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 34.3 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.573 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.414 -2.776 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.524 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' N ' ' A' ' 19' ' ' MET . 18.8 p30 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.041 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.833 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.833 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.377 0.431 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.419 0.455 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.546 ' N ' HG22 ' A' ' 10' ' ' ILE . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.816 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.816 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.301 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' H ' ' H ' ' A' ' 18' ' ' GLY . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.799 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' H ' ' H ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.799 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.2 t30 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.132 0 CA-C-O 121.289 0.383 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.831 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.831 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 21.9 m-20 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.156 0 N-CA-C 112.086 -0.405 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.753 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' N ' ' C ' ' A' ' 19' ' ' MET . 2.1 tm0? -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.753 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 . . . . . 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.184 0 CA-C-O 121.347 0.415 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.535 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' MET . 18.6 t-20 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.419 -2.466 0 N-CA-C 112.79 -0.124 . . . . 0.0 112.79 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 11' ' ' HIS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.519 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 17' ' ' HIS . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.55 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-O 121.309 0.394 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 13' ' ' GLY . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.884 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.884 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.997 0 CA-C-O 121.304 0.391 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 16' ' ' ILE . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.155 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' ILE . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.823 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.578 ' N ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.823 ' H ' ' N ' ' A' ' 19' ' ' MET . 24.8 t-20 . . . . . 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.238 0.355 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.161 0 CA-C-O 121.356 0.42 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.357 0.42 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.7 p-10 . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.312 0.396 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' N ' HG22 ' A' ' 10' ' ' ILE . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.895 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.895 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.432 0.462 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' N ' HG22 ' A' ' 10' ' ' ILE . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 16' ' ' ILE . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' PHE . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.78 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.78 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 . . . . . 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.114 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.505 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.835 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.835 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.426 -2.028 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 54.3 t-80 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.543 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.176 0 CA-C-O 121.396 0.442 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.534 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.5 m-70 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.54 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.671 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.06 0 CA-C-O 121.193 0.329 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.625 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 19.0 t30 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.55 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 36.9 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.6 p-10 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.217 0 CA-C-O 121.336 0.409 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.426 -2.012 0 CA-C-O 121.417 0.454 . . . . 0.0 112.198 . . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' N ' HG22 ' A' ' 10' ' ' ILE . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.778 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 54.8 tp60 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.778 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 . . . . . 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.113 0 CA-C-O 121.265 0.37 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.634 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.097 0 CA-C-O 121.304 0.391 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.839 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.839 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.5 m-20 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.031 0 CA-C-O 121.387 0.437 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.528 ' N ' HG22 ' A' ' 10' ' ' ILE . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.534 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.727 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 21' ' ' GLN . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.715 ' N ' HD12 ' A' ' 20' ' ' ILE . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.727 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.3 m-20 . . . . . 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 CA-C-O 121.252 0.362 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.58 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 20' ' ' ILE . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.152 0 CA-C-O 121.38 0.434 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.849 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.849 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.423 -2.195 0 CA-C-O 121.333 0.407 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 . . . . . 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.218 0 CA-C-O 121.238 0.355 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' NE2' ' NH1' ' A' ' 14' ' ' ARG . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.109 0 CA-C-O 121.271 0.373 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' HG22 ' A' ' 10' ' ' ILE . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.805 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.608 ' N ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.805 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.147 0.304 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' ILE . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' GLY . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.819 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' N ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.819 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.135 0 CA-C-O 121.283 0.38 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' ILE . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' PHE . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.871 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.871 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 CA-C-O 121.327 0.404 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.0 t-80 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.87 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.87 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.6 m120 . . . . . 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.199 0 CA-C-O 121.353 0.419 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' H ' ' H ' ' A' ' 12' ' ' GLY . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.122 0 CA-C-O 121.344 0.413 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.5 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 . . . . . 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.165 0 CA-C-O 121.391 0.44 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.867 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.867 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' ILE . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 CA-C-O 121.289 0.383 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.8 p-10 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.015 0 CA-C-O 121.338 0.41 . . . . 0.0 113.238 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 9' ' ' ALA . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 t30 . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.142 0 CA-C-O 121.333 0.407 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.516 ' N ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' N ' ' A' ' 19' ' ' MET . 31.0 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 47.1 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 CA-C-O 121.254 0.363 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.423 -2.233 0 CA-C-O 121.082 0.268 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' C ' ' N ' ' A' ' 13' ' ' GLY . 13.7 p80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.873 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.873 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.826 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 078 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.1 t60 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.528 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 20' ' ' ILE . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' H ' ' N ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 CA-C-O 121.382 0.434 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 079 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.24 0.356 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 080 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 22.5 p80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.29 0.383 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 081 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.042 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 082 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.539 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 0 0 . 1 . 083 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.327 0.404 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.622 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.096 0 CA-C-O 121.186 0.325 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' PHE . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' H ' ' H ' ' A' ' 14' ' ' ARG . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.794 HG23 ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.794 ' H ' HG23 ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 . . . . . 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.049 0 CA-C-O 121.306 0.392 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.485 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 086 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.843 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.843 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 . . . . . 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.937 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 087 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' N ' HG22 ' A' ' 10' ' ' ILE . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.876 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.876 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.121 0 CA-C-O 121.414 0.452 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 088 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.179 0 CA-C-O 121.334 0.408 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 089 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.526 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.866 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.866 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 090 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.095 0 CA-C-O 121.326 0.403 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 091 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 15' ' ' PHE . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.8 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.8 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 0 0 . 1 . 092 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.349 0 CA-C-O 121.276 0.376 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 092 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.608 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' N ' ' A' ' 19' ' ' MET . 2.7 p-10 . . . . . 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.254 0 CA-C-O 121.307 0.393 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 093 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.547 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 16' ' ' ILE . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.7 p-10 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.957 0 CA-C-O 121.322 0.401 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 094 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 3 3 . 1 . 094 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.562 ' N ' HG22 ' A' ' 10' ' ' ILE . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 t30 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.14 0 CA-C-O 121.35 0.416 . . . . 0.0 112.413 . . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.804 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.804 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 t30 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 0 0 . 1 . 097 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.904 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 097 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 13' ' ' GLY . 55.3 m-70 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.541 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 098 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.547 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.4 t-20 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.055 0 CA-C-O 121.327 0.404 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.436 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.2 t-80 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' H ' ' H ' ' A' ' 18' ' ' GLY . 59.0 t-80 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.813 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' N ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.813 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 . . . . . 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.412 -2.928 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.84 HG23 ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.84 ' H ' HG23 ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.622 ' H ' HG21 ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.0 p-10 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.912 0.387 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.3 mp -71.3 -44.4 65.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 -46.21 2.41 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.024 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.97 123.97 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 5' ' ' LEU . 8.3 mp -79.56 28.7 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.956 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 7' ' ' LYS . 1.7 tp 35.54 -156.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.299 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.707 ' N ' HG23 ' A' ' 6' ' ' ILE . 16.6 tptm 55.76 25.55 8.48 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 101.993 -3.336 . . . . 0.0 101.993 -170.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.74 82.73 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.065 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.003 -173.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 10' ' ' ILE . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.1 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 -128.96 -32.55 2.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 11.7 t-160 46.03 -107.71 0.15 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.899 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 75.6 t60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.17 86.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.28 -8.45 70.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -69.82 143.23 52.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -78.44 30.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mt 47.18 -143.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 53.38 25.24 4.42 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.79 79.23 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.236 -4.074 . . . . 0.0 111.918 -173.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.862 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.862 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 27.0 t30 -85.4 -37.37 19.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 5.5 t-80 74.05 -167.14 0.1 Allowed 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.585 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 79.6 m80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.676 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 mt 52.9 78.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.35 87.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.108 -0.567 . . . . 0.0 111.828 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.46 12.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 50.7 18.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.617 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm 48.52 -141.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.285 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 mttp 53.38 25.66 4.75 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -170.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.617 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.74 86.28 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.294 -4.048 . . . . 0.0 112.298 -173.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.532 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 52.43 39.29 27.33 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 43.85 29.78 0.33 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.953 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.84 -47.07 27.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 33.37 55.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.102 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.05 46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.19 -9.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.218 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.615 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.41 -142.12 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 52.97 25.37 3.96 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 102.628 -3.101 . . . . 0.0 102.628 -170.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.42 78.67 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.235 1 CA-C-N 108.247 -4.07 . . . . 0.0 112.27 -173.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.52 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.844 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.57 ' N ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.844 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 -115.27 23.38 12.51 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 19' ' ' MET . 98.5 m-70 45.49 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.56 -154.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.92 22.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.99 46.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt 52.32 23.51 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.693 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -75.81 -149.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.948 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.693 ' N ' HG23 ' A' ' 6' ' ' ILE . 67.0 mttm 53.35 25.74 4.78 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -170.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.72 78.22 0.04 OUTLIER Glycine 0 N--CA 1.423 -2.2 1 CA-C-N 108.246 -4.07 . . . . 0.0 112.115 -173.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG22 ' A' ' 10' ' ' ILE . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.632 ' CA ' ' H ' ' A' ' 23' ' ' HIS . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.843 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.843 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 -154.21 -60.26 0.12 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.632 ' H ' ' CA ' ' A' ' 18' ' ' GLY . 11.7 t-80 38.49 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.673 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 35.3 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.773 0.32 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tp -166.2 -40.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.83 3.29 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.171 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.7 -42.51 57.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 110.637 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tp 52.78 32.08 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.273 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.58 -142.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt 53.65 25.27 4.83 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.503 -3.147 . . . . 0.0 102.503 -170.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 76.33 0.04 OUTLIER Glycine 0 N--CA 1.426 -2.024 1 CA-C-N 108.359 -4.019 . . . . 0.0 111.96 -173.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.823 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.823 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.5 -12.4 22.67 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -52.49 -12.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.836 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 23' ' ' HIS . 77.0 m-70 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.262 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.9 123.21 20.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -14.23 8.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.964 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.4 142.25 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.3 mt -74.62 67.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.9 pt -84.88 -151.69 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.482 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt 53.92 25.91 5.78 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 102.185 -3.265 . . . . 0.0 102.185 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.42 77.8 0.04 OUTLIER Glycine 0 N--CA 1.422 -2.237 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.114 -173.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' ILE . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 17' ' ' HIS . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.783 ' H ' HG23 ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.642 ' H ' HG21 ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.3 p-10 44.25 58.44 3.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -143.82 152.42 41.17 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 113.597 -1.638 . . . . 0.0 110.326 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 1.4 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.15 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.378 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.417 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . 167.62 0.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -163.24 -2.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.3 mp 52.56 84.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 26.1 pt -155.64 -161.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.906 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' HIS . 52.6 mtpt 54.23 25.07 5.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 -169.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.65 59.31 5.49 Favored Glycine 0 N--CA 1.421 -2.333 1 CA-C-N 108.029 -4.168 . . . . 0.0 112.418 -174.008 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.784 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.784 ' H ' ' CA ' ' A' ' 19' ' ' MET . 29.3 m-20 -119.77 35.44 4.85 Favored 'General case' 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' MET . 97.1 m-70 49.09 -86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.104 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 22' ' ' ASN . 43.1 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp -68.77 -16.91 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 1.15 7.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.93 126.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.4 mp -71.72 93.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.1 pt -155.87 -162.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.947 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' HIS . 68.3 mttm 54.84 25.13 6.35 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 101.65 -3.463 . . . . 0.0 101.65 -169.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.2 56.84 6.71 Favored Glycine 0 N--CA 1.421 -2.33 1 CA-C-N 108.081 -4.145 . . . . 0.0 112.257 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.84 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' H ' ' H ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.84 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 -115.42 24.79 11.32 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.9 t60 -42.92 129.86 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 111.209 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.796 0.331 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.7 mt 57.35 177.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.9 11.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.4 10.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.82 103.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.409 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG22 ' H ' ' A' ' 7' ' ' LYS . 3.4 mm 65.0 -141.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.127 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.599 ' H ' HG22 ' A' ' 6' ' ' ILE . 37.6 mmtm 54.12 25.44 5.64 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 -170.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.43 98.26 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.242 1 CA-C-N 108.208 -4.087 . . . . 0.0 112.42 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 29.5 t30 47.95 43.49 17.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 24.6 t60 54.92 -114.45 0.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.4 mt 53.45 171.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.93 21.69 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.36 -13.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp 57.05 77.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.73 -141.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tptm 54.11 25.65 5.82 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 102.237 -3.246 . . . . 0.0 102.237 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.75 84.8 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.044 1 CA-C-N 108.343 -4.026 . . . . 0.0 112.37 -173.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 -118.27 29.54 7.72 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.605 ' N ' ' O ' ' A' ' 19' ' ' MET . 42.6 t-80 -165.4 154.87 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.537 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.348 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 55.78 67.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.9 -25.98 74.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.41 170.75 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.3 mp -77.73 22.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.107 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.33 -141.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm 53.65 25.67 5.16 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 -170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 95.44 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.262 -4.063 . . . . 0.0 112.516 -173.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.441 ' C ' ' CD2' ' A' ' 23' ' ' HIS . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' HIS . 11.7 m120 -100.63 -14.19 18.25 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -52.06 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.037 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.551 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.8 t80 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.8 mt 53.22 9.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.697 0.284 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 77.45 -52.69 3.48 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.954 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -166.56 59.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.6 mp 55.77 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.783 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 53.58 -140.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.583 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 53.06 25.74 4.34 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.519 -3.141 . . . . 0.0 102.519 -170.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.38 80.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.133 1 CA-C-N 108.248 -4.069 . . . . 0.0 112.506 -173.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 43.38 52.74 5.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.83 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 54.06 -164.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.485 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.76 80.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.953 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 -38.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -168.7 6.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.37 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.751 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttp 53.69 25.66 5.22 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 -170.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.77 81.41 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 1 CA-C-N 108.237 -4.074 . . . . 0.0 112.449 -173.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 45.08 62.94 1.92 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 49.91 -91.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.507 -1.679 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 74.6 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.6 mp -72.67 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.4 0.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.129 -0.557 . . . . 0.0 111.948 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.58 -168.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.32 66.71 1.81 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.08 -141.16 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.758 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 53.74 25.1 4.81 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 -170.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.92 79.11 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.197 -4.092 . . . . 0.0 111.962 -173.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 10' ' ' ILE . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 -82.67 -29.05 30.22 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 93.4 m-70 54.27 -174.53 0.04 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.195 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.531 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.92 14.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.79 -18.54 66.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.55 -22.86 50.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.4 mm? -89.5 -6.79 56.11 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.255 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.9 pt -157.36 -157.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' HIS . 90.8 mttt 54.0 25.08 5.14 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 44.2 57.82 4.73 Favored Glycine 0 N--CA 1.421 -2.331 1 CA-C-N 108.08 -4.145 . . . . 0.0 112.391 -173.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' LYS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 20' ' ' ILE . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 23' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.886 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 20' ' ' ILE . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.886 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -88.4 -23.07 23.44 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -48.07 -63.75 0.98 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.588 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.7 mp -68.21 168.9 11.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.165 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.32 66.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.68 -66.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.21 -62.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.05 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.954 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 53.2 25.87 4.64 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 86.74 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.222 -4.081 . . . . 0.0 112.359 -173.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.701 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' N ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.701 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -101.6 0.62 36.65 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.1 t60 52.22 101.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.548 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.77 145.34 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.3 -42.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.039 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.16 -28.76 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.644 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.6 mp -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.295 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm -121.48 -141.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 53.17 25.83 4.57 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 -170.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.26 94.53 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.063 1 CA-C-N 108.277 -4.056 . . . . 0.0 112.169 -173.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.889 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.889 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 -73.49 -25.72 60.57 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' GLY . 23.0 t-80 58.16 -78.47 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.897 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' ASN . 7.7 p-80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.74 162.1 29.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.61 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.82 -47.51 58.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.03 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.65 174.88 12.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.4 mp -77.78 64.21 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.1 pt -77.55 -150.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.519 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 55.21 25.35 7.19 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 102.267 -3.234 . . . . 0.0 102.267 -170.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 71.19 0.14 Allowed Glycine 0 N--CA 1.423 -2.197 1 CA-C-N 108.197 -4.092 . . . . 0.0 112.165 -174.089 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.859 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.859 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.0 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 -78.3 -29.1 47.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 39.1 p-80 41.31 24.09 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.425 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.5 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.792 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.0 mp -71.5 128.65 36.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.92 -10.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.36 55.19 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.3 mp 53.62 16.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' C ' ' N ' ' A' ' 8' ' ' GLY . 48.1 pt 37.8 -145.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt 53.74 25.89 5.48 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.579 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.03 87.46 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.331 -4.031 . . . . 0.0 112.195 -173.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ALA . 60.3 t-80 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -107.27 -18.99 13.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 0.7 OUTLIER -45.08 156.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.939 179.725 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.506 179.839 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 34.0 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.767 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.9 mt -71.0 -4.24 23.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.81 -52.64 3.61 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.98 168.31 10.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.748 0.309 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.8 mp -74.07 94.6 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.163 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 21.3 pt -149.37 -147.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 54.95 25.85 7.28 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 102.125 -3.287 . . . . 0.0 102.125 -170.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 87.42 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.151 1 CA-C-N 108.269 -4.06 . . . . 0.0 112.374 -173.924 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.811 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.558 ' H ' ' H ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.811 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.2 t-20 -112.83 16.61 19.46 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' MET . 76.6 t60 39.35 22.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.902 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 22' ' ' ASN . 69.6 m80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' GLY . 47.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt 59.63 -77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.749 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 69.71 34.98 73.11 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.846 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 136.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.547 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.8 mm? -75.39 87.22 2.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.022 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.712 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.4 tp -154.34 -147.96 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' N ' HG23 ' A' ' 6' ' ' ILE . 63.1 tttm 55.23 25.83 7.78 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 102.13 -3.285 . . . . 0.0 102.13 -170.322 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.543 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.08 73.52 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.073 1 CA-C-N 108.328 -4.033 . . . . 0.0 112.41 -174.082 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.817 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.817 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -120.06 -29.28 4.95 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 52.74 -96.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 82.2 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.06 -72.16 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.66 45.19 47.95 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.03 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.36 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 51.26 -141.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.1 mttm 53.32 25.66 4.67 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 -170.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.64 95.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.273 -4.058 . . . . 0.0 112.223 -173.652 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.867 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.664 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.867 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 -82.26 -31.32 30.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 84.6 m-70 54.1 173.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.375 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.546 -179.917 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' LEU . 53.1 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.737 0.303 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -50.35 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 -179.858 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.61 24.0 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.33 -7.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.07 19.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.687 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.82 -141.39 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.639 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.17 25.78 4.53 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.429 -3.175 . . . . 0.0 102.429 -170.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.66 97.16 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.137 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.278 -173.794 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 -83.51 -31.01 26.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 56.7 p-80 42.17 -156.03 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.999 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.8 mt 52.76 -143.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.4 53.51 6.01 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.811 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -164.5 26.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -166.25 -53.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.609 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.6 pt -89.63 -148.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.716 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 53.96 25.97 5.9 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 102.196 -3.261 . . . . 0.0 102.196 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.83 86.46 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.177 1 CA-C-N 108.324 -4.034 . . . . 0.0 112.012 -173.825 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 82.0 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 26.7 t-20 -113.08 16.87 19.15 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' MET . 40.6 m80 38.75 22.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASN . 53.6 t-80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt 57.22 160.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.33 2.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.82 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.81 76.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -163.17 -24.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.089 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.596 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 pp -142.33 -157.31 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.704 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HB ' ' A' ' 6' ' ' ILE . 4.6 mptp? 56.51 25.78 10.17 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 101.457 -3.534 . . . . 0.0 101.457 -170.018 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.596 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 90.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.157 0 CA-C-N 108.449 -3.978 . . . . 0.0 112.341 -174.275 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.1 t-20 -84.74 -29.12 25.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 92.6 m-70 54.55 171.19 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.317 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.521 179.948 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 4' ' ' ALA . 12.0 mt -74.78 177.78 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.69 11.59 4.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.058 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -161.89 92.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.495 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.4 mp -70.74 81.76 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -150.33 -160.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.913 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.362 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' HIS . 61.9 mttt 54.12 25.23 5.44 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 101.876 -3.379 . . . . 0.0 101.876 -170.182 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.1 57.5 5.49 Favored Glycine 0 N--CA 1.422 -2.267 1 CA-C-N 108.022 -4.172 . . . . 0.0 112.572 -173.83 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.86 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.86 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 -126.95 -32.78 2.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 33.1 m80 51.15 13.04 0.14 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' ' C ' ' A' ' 22' ' ' ASN . 75.0 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.509 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.699 0.285 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.5 -45.67 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 -7.87 4.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.131 -0.556 . . . . 0.0 111.987 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -55.99 -174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.29 15.77 0.41 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.468 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.4 mm 49.01 -145.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.623 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.195 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tptm 53.67 25.5 5.05 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 102.36 -3.2 . . . . 0.0 102.36 -170.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.89 82.55 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.114 -173.791 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.1 m80 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.811 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.811 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -89.05 -31.61 17.97 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 31.7 t-80 47.66 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.695 179.497 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.601 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 30.5 m80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.78 -167.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.82 -70.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.026 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -74.24 -172.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.839 0.352 . . . . 0.0 110.677 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.3 mp -77.86 35.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.46 -143.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt 53.16 25.54 4.34 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -170.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.31 68.42 0.18 Allowed Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.463 -173.841 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 16' ' ' ILE . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.847 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.847 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.86 -34.57 10.08 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.539 ' HE2' ' C ' ' A' ' 20' ' ' ILE . 16.6 m-70 46.13 -95.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.633 179.944 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 18.8 p90 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.829 0.347 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' ALA . 11.3 tp -71.67 134.62 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 29.51 1.38 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.89 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -165.97 -138.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.635 0.255 . . . . 0.0 110.4 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -161.21 23.13 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.699 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.716 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.1 tt -71.83 -152.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.742 179.647 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 6' ' ' ILE . 14.6 tptm 55.03 25.76 7.33 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 102.082 -3.303 . . . . 0.0 102.082 -170.476 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.546 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.6 69.06 0.17 Allowed Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.392 -4.004 . . . . 0.0 111.969 -173.673 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.882 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.882 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 -82.07 -31.29 30.9 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 47.3 t-80 53.02 9.31 0.12 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.857 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -171.52 176.83 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.308 179.767 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.24 26.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.114 -179.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.26 9.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt 54.7 100.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' C ' ' N ' ' A' ' 8' ' ' GLY . 23.7 pt -147.64 -147.06 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 53.79 26.17 5.81 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 102.234 -3.246 . . . . 0.0 102.234 -170.273 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.87 74.37 0.06 OUTLIER Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 108.488 -3.96 . . . . 0.0 111.794 -173.558 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.554 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.827 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.827 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 -102.6 -13.72 17.03 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' ND1' ' N ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -42.67 -23.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.953 179.327 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.86 -151.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -170.35 -1.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -164.15 -161.0 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 77.16 -50.45 0.55 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.163 179.945 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.714 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.4 tp -133.17 -149.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.714 ' N ' HG23 ' A' ' 6' ' ' ILE . 19.5 tptm 55.07 25.82 7.47 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 102.148 -3.279 . . . . 0.0 102.148 -170.216 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.02 86.5 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 0 CA-C-N 108.407 -3.997 . . . . 0.0 112.14 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.607 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.607 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.573 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 34.3 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.573 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 45.43 50.26 10.2 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 82.0 t60 56.69 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.595 -179.898 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 55.6 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.605 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.8 mp -69.13 -28.9 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.082 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.33 5.43 6.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.026 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -94.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 7' ' ' LYS . 14.7 mt -75.55 -48.71 21.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.51 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.884 ' C ' ' H ' ' A' ' 8' ' ' GLY . 5.2 tt 39.85 27.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 111.569 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' LEU . 98.1 mttt -84.12 28.37 0.62 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 168.192 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.884 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 55.76 73.76 0.39 Allowed Glycine 0 N--CA 1.414 -2.776 0 CA-C-N 108.985 -3.734 . . . . 0.0 111.647 -176.189 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.524 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' N ' ' A' ' 19' ' ' MET . 18.8 p30 44.07 43.27 5.45 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 68.6 m-70 -162.04 78.87 0.53 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 113.802 -1.544 . . . . 0.0 110.266 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 t80 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.819 0.343 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? -68.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.095 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.1 2.7 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.043 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.73 169.49 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.701 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.43 50.61 0.96 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.2 mm 45.2 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.663 -179.876 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt 53.33 25.52 4.58 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.498 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 77.78 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.041 1 CA-C-N 108.322 -4.036 . . . . 0.0 112.068 -173.868 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.833 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.833 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -105.11 -33.75 8.18 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.9 m170 43.61 49.42 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.348 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.529 -179.962 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.12 -172.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.48 21.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.897 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.81 -64.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.37 48.58 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.0 pt -75.02 -147.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.526 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 55.3 25.53 7.58 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 102.105 -3.294 . . . . 0.0 102.105 -170.478 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.05 89.16 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.19 -4.096 . . . . 0.0 112.668 -174.17 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 43.69 59.72 2.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 2.1 m-70 56.38 178.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.567 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 65.5 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -166.8 74.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.883 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.42 90.23 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.025 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.53 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? -71.53 -36.36 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.7 pt -98.7 -148.38 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 mttm 53.89 25.99 5.81 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.221 -3.251 . . . . 0.0 102.221 -170.388 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 78.29 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.306 -4.043 . . . . 0.0 112.309 -174.032 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.546 ' N ' HG22 ' A' ' 10' ' ' ILE . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.816 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.816 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -102.54 -23.71 13.86 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 7.2 p80 -33.76 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.644 179.384 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.4 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 -179.802 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.339 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.82 -21.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.248 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.84 90.16 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.066 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.22 161.4 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.1 mm? 53.98 14.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.1 pt -78.87 -152.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 CA-C-O 119.454 -0.308 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 53.9 25.78 5.63 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 102.177 -3.268 . . . . 0.0 102.177 -170.32 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.45 90.13 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.301 1 CA-C-N 108.285 -4.052 . . . . 0.0 112.15 -173.821 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' H ' ' H ' ' A' ' 18' ' ' GLY . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.799 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' H ' ' H ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.799 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.2 t30 -114.72 21.91 14.01 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 19' ' ' MET . 48.8 t-80 53.18 171.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.516 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 36.6 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 60.0 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.551 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -164.89 -172.13 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.09 -60.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.82 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 -50.51 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -163.94 -69.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.107 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -168.15 -148.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.762 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 6' ' ' ILE . 59.5 tttp 54.92 25.71 7.09 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 -170.298 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.67 77.69 0.04 OUTLIER Glycine 0 N--CA 1.424 -2.132 1 CA-C-N 108.257 -4.065 . . . . 0.0 112.483 -174.103 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.831 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.831 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 21.9 m-20 -85.54 -35.65 20.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 30.1 t-80 59.61 148.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.612 178.752 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.518 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 52.8 t-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? -67.41 -14.17 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.02 -10.3 3.3 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.993 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -167.4 -116.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.624 0.25 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -163.2 30.71 0.09 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.054 0.454 . . . . 0.0 110.233 179.882 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' C ' ' N ' ' A' ' 8' ' ' GLY . 15.8 pt -76.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttm 55.29 25.82 7.87 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.108 -3.293 . . . . 0.0 102.108 -170.264 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.08 71.87 0.11 Allowed Glycine 0 N--CA 1.424 -2.156 1 CA-C-N 108.244 -4.071 . . . . 0.0 112.086 -173.891 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.753 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' N ' ' C ' ' A' ' 19' ' ' MET . 2.1 tm0? -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.753 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 -107.01 15.91 24.79 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 32.3 p80 41.01 -165.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.369 179.625 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.93 -156.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -179.93 -7.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.883 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -70.27 -170.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.525 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.69 63.47 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.5 tp -149.68 -147.24 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-O 119.242 -0.408 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 51.2 mtpt 54.12 25.87 6.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 102.313 -3.217 . . . . 0.0 102.313 -170.259 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.549 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 90.85 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.184 1 CA-C-N 108.361 -4.018 . . . . 0.0 112.518 -174.116 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.535 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' MET . 18.6 t-20 46.0 61.24 2.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -56.06 163.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.6 -179.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.947 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.812 0.339 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.91 -161.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.62 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.57 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.59 -31.33 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.635 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.43 -148.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 10' ' ' ILE . 70.1 mmtt 54.76 22.15 3.98 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -169.695 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.635 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.39 64.39 2.31 Favored Glycine 0 N--CA 1.419 -2.466 1 CA-C-N 107.957 -4.201 . . . . 0.0 112.79 -175.519 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 11' ' ' HIS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 17' ' ' HIS . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.55 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 46.92 51.27 12.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -53.26 124.3 14.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.635 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.965 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.721 0.296 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp 50.6 49.73 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.935 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -9.43 18.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.928 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -64.63 178.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.7 mp -78.17 28.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 45.6 pt 39.51 -143.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.716 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 54.37 25.67 6.22 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -170.46 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.0 99.15 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.211 1 CA-C-N 108.276 -4.056 . . . . 0.0 112.338 -173.886 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.656 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.884 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.884 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.17 -24.15 20.03 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 16' ' ' ILE . 2.9 t60 -50.0 -41.42 47.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.609 178.642 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.929 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 67.2 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.769 0.319 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.09 28.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 55.25 -93.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.779 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.79 -140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.659 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.2 pt? -165.67 47.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.593 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt -140.06 -140.47 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 -179.706 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tptt 54.61 25.67 6.59 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 102.21 -3.255 . . . . 0.0 102.21 -170.394 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 84.56 0.01 OUTLIER Glycine 0 N--CA 1.426 -1.997 1 CA-C-N 108.333 -4.03 . . . . 0.0 112.467 -173.966 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 16' ' ' ILE . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -107.33 -14.17 14.94 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 6.7 p-80 -39.31 105.72 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.289 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.604 -179.873 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 14.9 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt 56.43 95.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.63 61.94 3.2 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.46 48.58 18.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.1 mp -70.51 -36.49 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.107 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.6 mt -86.8 -145.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.278 179.729 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 10' ' ' ILE . 7.0 mtpm? 52.99 25.77 4.27 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -170.527 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 82.91 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.155 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.068 -173.591 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' ILE . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.823 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.578 ' N ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.823 ' H ' ' N ' ' A' ' 19' ' ' MET . 24.8 t-20 -115.57 24.89 11.21 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -160.41 -111.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.397 179.833 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.535 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.9 t60 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.87 -77.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.76 44.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.009 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.62 8.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mt 48.32 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 35.1 pt -147.48 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.29 25.9 4.81 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.35 -3.204 . . . . 0.0 102.35 -170.38 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.0 86.71 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 108.453 -3.976 . . . . 0.0 112.222 -173.89 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -89.08 -18.95 26.23 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -40.29 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.237 179.172 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.22 159.72 31.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.98 65.26 0.2 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.89 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.49 -44.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.06 -38.8 66.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mm 59.86 -141.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.19 -179.782 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' H ' HG22 ' A' ' 6' ' ' ILE . 34.4 ttmt 53.83 25.73 5.48 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 -170.573 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 83.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.161 1 CA-C-N 108.196 -4.093 . . . . 0.0 112.575 -173.923 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 44.67 48.36 8.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -75.75 -72.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.633 -179.834 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 -179.942 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.5 mp -72.16 151.24 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.97 -53.44 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.046 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.76 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.723 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.0 mp -62.75 -50.5 70.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.19 -179.937 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.9 tt -92.16 -150.12 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 119.087 -0.483 . . . . 0.0 109.781 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.72 ' N ' HG23 ' A' ' 6' ' ' ILE . 2.0 mptm? 54.99 25.98 7.49 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -170.269 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.567 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 81.9 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 0 CA-C-N 108.511 -3.949 . . . . 0.0 112.283 -173.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.7 p-10 42.67 59.02 2.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.27 -74.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.65 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.506 -179.859 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 50.6 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 10.9 mt -75.18 159.2 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.515 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.4 -36.28 75.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.929 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.29 156.26 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.64 85.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.5 pt -147.71 -146.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.897 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 53.94 26.07 5.96 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 102.247 -3.242 . . . . 0.0 102.247 -170.223 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 78.15 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.353 -4.022 . . . . 0.0 112.221 -173.963 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' N ' HG22 ' A' ' 10' ' ' ILE . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.895 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.895 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 44.55 63.1 1.79 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -69.39 120.79 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.551 -1.659 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.927 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.07 57.75 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.46 2.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.102 -0.57 . . . . 0.0 111.891 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.6 -125.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.71 57.53 0.74 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.066 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.6 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mt 50.23 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mttm 53.34 25.16 4.29 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 102.637 -3.098 . . . . 0.0 102.637 -170.592 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.83 79.1 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.194 -4.093 . . . . 0.0 112.161 -174.017 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.524 ' N ' HG22 ' A' ' 10' ' ' ILE . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 16' ' ' ILE . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' PHE . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.78 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.78 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 -116.1 24.37 11.48 Favored 'General case' 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' MET . 46.5 t60 54.38 165.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.424 . . . . 0.0 110.859 179.423 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.512 179.971 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.319 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? -72.91 140.86 47.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.08 -179.976 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.31 6.69 5.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.982 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.99 75.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -162.18 20.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.5 tp -144.16 -148.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.035 179.862 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.723 ' N ' HG23 ' A' ' 6' ' ' ILE . 52.8 mtpt 53.86 25.2 5.05 Favored 'General case' 0 C--N 1.345 0.393 0 N-CA-C 102.543 -3.132 . . . . 0.0 102.543 -170.531 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.21 70.68 0.15 Allowed Glycine 0 N--CA 1.424 -2.114 1 CA-C-N 108.202 -4.09 . . . . 0.0 112.094 -174.156 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.505 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.835 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.835 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 -127.83 -30.14 2.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 20.2 p80 41.16 92.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.216 178.987 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.328 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.5 145.85 55.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.9 63.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.932 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.59 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.657 0.265 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.7 mp -65.48 -15.5 62.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.129 179.919 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -127.1 -144.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? 54.76 25.87 7.03 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 102.182 -3.266 . . . . 0.0 102.182 -170.425 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 66.98 0.18 Allowed Glycine 0 N--CA 1.426 -2.028 1 CA-C-N 108.372 -4.013 . . . . 0.0 112.121 -173.778 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 54.3 t-80 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.543 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 46.99 50.76 13.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 55.76 -175.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.7 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.918 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? 53.06 35.43 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.84 46.11 94.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.869 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.7 70.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 51.83 17.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.997 -179.869 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 3.6 tt 37.82 -156.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 -179.78 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 17.6 tptp 56.5 25.64 9.97 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 101.909 -3.367 . . . . 0.0 101.909 -170.22 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.23 82.8 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.176 1 CA-C-N 108.33 -4.032 . . . . 0.0 112.3 -174.102 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.534 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.5 m-70 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.54 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 48.38 64.69 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 20' ' ' ILE . 34.9 m170 -80.67 -104.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.024 179.307 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 p80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 62.3 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.1 mt -70.68 -24.72 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.851 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.99 48.66 77.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.912 179.969 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.03 103.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' ILE . 4.8 tp -159.61 4.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.035 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.898 ' C ' ' H ' ' A' ' 8' ' ' GLY . 22.1 pt -157.84 18.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.16 179.334 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . 29.7 mmtp -85.13 28.04 0.74 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 100.367 -3.938 . . . . 0.0 100.367 167.57 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.898 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 67.94 49.49 47.7 Favored Glycine 0 N--CA 1.416 -2.671 0 CA-C-N 108.82 -3.809 . . . . 0.0 111.57 -176.625 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' LYS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 45.17 58.92 3.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -166.06 131.01 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.943 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.735 0.302 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.1 mp -70.42 -88.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.081 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.08 10.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.865 -179.986 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.61 167.59 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.23 16.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.31 -140.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 -179.864 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttm 53.4 25.73 4.84 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 -170.468 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.71 84.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.06 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.331 -173.672 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.625 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 19.0 t30 42.13 59.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 59.37 104.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.604 179.98 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.85 -172.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.903 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.76 0.64 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.048 -179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 -141.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.683 0.278 . . . . 0.0 110.614 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.94 -21.94 66.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' C ' ' N ' ' A' ' 8' ' ' GLY . 47.7 pt 39.23 -143.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.793 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 53.37 25.88 4.91 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 -170.394 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.566 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.68 95.09 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.242 -173.735 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.55 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 36.9 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.6 p-10 44.13 48.19 7.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 t60 47.99 100.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 113.986 -1.461 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.943 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.96 -165.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 50.44 0.19 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.836 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.56 -49.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.567 -179.909 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.15 -57.44 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.0 pt -78.22 -152.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.4 tttt 55.22 25.55 7.44 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 102.008 -3.33 . . . . 0.0 102.008 -170.549 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.611 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 81.32 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.217 1 CA-C-N 108.192 -4.095 . . . . 0.0 112.256 -173.837 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 -83.25 -28.5 29.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 15.5 p80 40.2 23.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.408 179.609 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.2 t60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.56 160.69 32.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -170.4 4.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.986 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.447 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -169.98 -0.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.1 mm? 55.03 109.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.7 mt 55.39 -140.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.3 tptt 53.81 25.1 4.9 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.565 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.14 82.67 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.012 1 CA-C-N 108.341 -4.027 . . . . 0.0 112.198 -173.974 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' N ' HG22 ' A' ' 10' ' ' ILE . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.778 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 54.8 tp60 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.778 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 -112.28 14.39 20.49 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' MET . 96.4 m-70 41.73 18.66 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.725 179.483 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 22' ' ' ASN . 49.1 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.514 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.71 -171.43 3.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.588 -179.907 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.95 46.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.018 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.7 -21.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.481 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp 60.83 21.44 11.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.585 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.9 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.693 -179.953 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 53.46 25.76 4.96 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -170.455 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.585 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.63 78.83 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.113 1 CA-C-N 108.281 -4.054 . . . . 0.0 112.396 -173.787 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.634 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 39.56 58.66 1.96 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -78.49 -4.62 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.669 -179.822 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 -179.989 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.769 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 53.05 -148.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.765 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.3 36.28 0.4 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 -179.939 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -166.07 -16.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 110.103 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' H ' ' H ' ' A' ' 4' ' ' ALA . 19.1 tp 54.11 91.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.785 179.591 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.8 mm -126.41 -139.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.305 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.7 mttp 51.85 25.81 3.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 102.696 -3.075 . . . . 0.0 102.696 -171.06 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 79.34 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.097 1 CA-C-N 108.215 -4.084 . . . . 0.0 112.351 -173.487 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 21.0 m80 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.839 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.839 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 74.5 m-20 -80.23 -31.33 38.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.6 p-80 41.61 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.715 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 22' ' ' ASN . 4.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' C ' HD23 ' A' ' 2' ' ' LEU . 2.2 tt -167.0 -69.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.24 11.19 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.16 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' GLY . 21.4 mt -75.14 6.39 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.753 -179.844 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.91 -140.93 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.632 179.999 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 52.86 25.74 4.12 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.516 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.45 78.6 0.02 OUTLIER Glycine 0 N--CA 1.426 -2.031 1 CA-C-N 108.304 -4.044 . . . . 0.0 112.324 -173.667 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.528 ' N ' HG22 ' A' ' 10' ' ' ILE . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.534 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.727 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 21' ' ' GLN . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.715 ' N ' HD12 ' A' ' 20' ' ' ILE . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.727 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.3 m-20 -106.71 17.01 23.79 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.2 t-80 50.21 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ASN . 10.6 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.827 0.346 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.3 mp -73.49 -59.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.63 -35.96 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.935 179.984 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -168.59 -178.28 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 110.412 179.944 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.9 mp -76.95 108.87 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt -141.79 -143.82 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.408 179.722 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm 53.25 25.82 4.68 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 -170.523 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.3 87.76 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.377 -4.011 . . . . 0.0 112.256 -173.796 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.58 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 20' ' ' ILE . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 53.23 45.12 29.22 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -55.08 113.25 1.29 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.919 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.6 mp -74.7 130.23 39.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.113 179.935 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.46 62.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.01 -167.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.993 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.46 85.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.915 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -147.28 -149.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.786 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 54.05 26.11 6.17 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.181 -3.266 . . . . 0.0 102.181 -170.19 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.42 80.69 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.152 1 CA-C-N 108.345 -4.025 . . . . 0.0 112.235 -173.947 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.849 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.849 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.45 -15.79 14.14 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -38.85 -95.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.235 179.553 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.586 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 86.4 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.79 0.329 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.42 -140.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 23.25 68.5 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.864 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.0 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.48 -12.47 60.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.9 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.735 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.6 tp -164.51 -145.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.614 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.735 ' N ' HG23 ' A' ' 6' ' ' ILE . 48.3 mtpt 54.07 25.93 6.03 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 -170.184 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.07 79.2 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.195 1 CA-C-N 108.342 -4.026 . . . . 0.0 112.336 -173.987 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 44.05 59.33 3.23 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.19 123.96 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.509 179.962 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.47 -179.992 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.5 mp -75.2 -28.1 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.998 179.856 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.77 1.84 4.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.974 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -74.3 165.84 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.4 mp -74.89 3.03 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG23 ' N ' ' A' ' 7' ' ' LYS . 3.5 tt 38.05 -156.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.949 -179.77 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.705 ' N ' HG23 ' A' ' 6' ' ' ILE . 81.4 tttt 56.0 25.78 9.19 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.19 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.38 80.65 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.218 1 CA-C-N 108.316 -4.038 . . . . 0.0 112.241 -174.04 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' NE2' ' NH1' ' A' ' 14' ' ' ARG . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 41.56 53.9 3.76 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 39.6 t-80 55.62 -111.52 0.63 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.807 0.337 . . . . 0.0 110.639 179.961 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' ALA . 18.1 mt -68.65 -166.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.995 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.01 22.07 1.57 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.319 -0.467 . . . . 0.0 111.975 -179.924 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -169.91 158.6 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 5' ' ' LEU . 8.8 mp -78.39 57.93 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mm 46.91 -142.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.989 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 53.74 25.21 4.89 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 102.66 -3.089 . . . . 0.0 102.66 -170.581 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.46 74.3 0.06 OUTLIER Glycine 0 N--CA 1.424 -2.109 1 CA-C-N 108.234 -4.075 . . . . 0.0 112.172 -173.997 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' HG22 ' A' ' 10' ' ' ILE . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.805 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.608 ' N ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.805 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -117.72 29.71 7.68 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 19' ' ' MET . 24.7 t-80 -69.97 80.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.335 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.765 0.317 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -161.46 177.28 10.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.725 -179.931 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.86 -12.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.963 -179.922 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.52 -150.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.0 mp -75.15 97.31 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.12 179.926 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt -144.48 -142.05 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 179.759 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 53.61 25.73 5.16 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 102.469 -3.159 . . . . 0.0 102.469 -170.648 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.09 69.47 0.12 Allowed Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.293 -4.049 . . . . 0.0 112.461 -173.841 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' ILE . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' GLY . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.819 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' N ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.819 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 -115.31 24.78 11.35 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 m-70 48.26 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.52 179.988 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.7 mp 53.42 -95.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.93 49.6 41.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.888 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.19 -20.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.9 tt 51.48 84.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.219 179.906 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.739 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.6 tt -166.45 -148.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.116 -179.844 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' N ' HG23 ' A' ' 6' ' ' ILE . 56.9 tttm 55.7 25.82 8.68 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 102.143 -3.28 . . . . 0.0 102.143 -170.333 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.41 79.34 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.135 1 CA-C-N 108.287 -4.052 . . . . 0.0 112.411 -173.968 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' ILE . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' PHE . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.871 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.871 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.31 -35.44 6.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 48.49 -132.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.672 -179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.7 mp -67.74 154.4 41.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.231 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.88 32.21 1.26 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.277 -0.487 . . . . 0.0 111.905 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . 55.48 52.41 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.522 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.4 11.57 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.4 pt -145.02 -145.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.452 179.909 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 mttt 53.76 25.96 5.58 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 -170.376 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.09 75.73 0.05 OUTLIER Glycine 0 N--CA 1.425 -2.066 1 CA-C-N 108.346 -4.025 . . . . 0.0 112.377 -173.814 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.0 t-80 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.87 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.87 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.6 m120 -84.45 -31.37 24.63 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.6 t60 59.36 3.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.015 178.998 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ASN . 32.9 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.336 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? -79.04 18.21 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.138 -179.961 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.14 46.54 91.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.939 -179.941 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -164.03 -8.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.4 mp 51.93 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.23 179.922 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.4 pt -148.37 -146.61 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.686 179.885 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt 54.05 25.95 6.01 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.237 -3.245 . . . . 0.0 102.237 -170.252 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 82.78 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.199 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.419 -174.039 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' H ' ' H ' ' A' ' 12' ' ' GLY . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 -85.09 -38.8 18.68 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 15.2 m-70 75.67 -162.64 0.06 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.598 178.838 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.961 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.855 0.359 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -77.59 45.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.25 -29.75 16.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.946 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.37 166.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.87 45.68 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 49.27 -139.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm 53.02 25.81 4.33 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.409 -3.182 . . . . 0.0 102.409 -170.533 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.613 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.04 87.83 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.194 -4.094 . . . . 0.0 112.422 -173.779 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.5 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 -117.19 28.28 8.59 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.1 t-80 -49.57 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.5 179.979 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.22 -37.64 61.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.58 38.13 95.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.052 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -170.73 -67.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.0 mp -77.91 28.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.228 -179.946 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -77.73 -148.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 54.23 26.17 6.51 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.088 -3.301 . . . . 0.0 102.088 -170.249 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.66 89.6 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.165 1 CA-C-N 108.251 -4.068 . . . . 0.0 112.253 -174.0 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.867 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.867 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' ILE . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 42.08 61.11 2.05 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 51.96 -178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.195 -179.856 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.571 179.938 . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.798 0.332 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.44 86.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.389 179.964 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.75 53.42 3.66 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.331 -0.462 . . . . 0.0 111.996 -179.972 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.98 123.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.765 0.316 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.46 95.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.3 pt -147.89 -145.83 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.936 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.86 25.92 5.7 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 -170.361 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.37 88.19 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.111 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.269 -173.915 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.8 p-10 44.41 58.88 3.56 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -70.04 84.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.494 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.55 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -48.03 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.802 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.43 -11.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -179.962 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -163.11 -163.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.919 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt 60.66 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.794 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 mm 49.27 -148.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 -179.561 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 11' ' ' HIS . 4.6 mptp? 53.1 24.77 3.73 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 -170.421 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.97 82.87 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.015 1 CA-C-N 108.376 -4.011 . . . . 0.0 113.238 -174.445 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 62.8 t30 -116.97 -30.95 5.55 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 34.4 p80 40.56 26.72 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.201 179.829 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' ASN . 39.2 t-80 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.448 -179.774 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 159.97 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.12 -29.4 74.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.783 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.77 142.1 37.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tp -90.29 52.09 2.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.455 179.919 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 51.35 -140.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 53.69 25.77 5.31 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -170.38 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.586 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.61 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.142 1 CA-C-N 108.317 -4.038 . . . . 0.0 112.431 -173.962 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.516 ' N ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' N ' ' A' ' 19' ' ' MET . 31.0 t30 44.64 48.2 8.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -75.8 151.66 37.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.222 -1.353 . . . . 0.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.939 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -163.77 176.24 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . 157.9 15.64 0.04 OUTLIER Glycine 0 C--N 1.332 0.323 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -179.807 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -165.51 -27.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.7 mp -77.14 -9.11 58.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.594 ' C ' ' N ' ' A' ' 8' ' ' GLY . 14.7 pt -76.77 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.823 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 55.25 25.67 7.64 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 -170.385 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.21 84.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.193 -173.845 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 47.1 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 -80.65 -27.26 37.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' GLY . 51.9 t-80 55.34 -87.08 0.02 OUTLIER 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.662 179.612 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ASN . 9.1 t-80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.2 mp -67.53 161.39 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.08 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.58 33.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 179.989 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -169.22 -29.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 110.486 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.7 mp -76.31 16.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 -179.927 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -145.94 -151.4 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 179.798 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm 55.23 25.86 7.8 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 -170.219 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.19 84.08 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.467 -174.204 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 45.38 46.08 10.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . 85.1 m-70 58.31 154.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.412 -179.666 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.545 -179.935 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.41 132.71 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.26 -30.98 72.17 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.58 -174.44 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -77.47 85.17 3.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 7' ' ' LYS . 4.0 mm -87.27 -143.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.249 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.661 ' H ' HG22 ' A' ' 6' ' ' ILE . 26.0 mtmm 52.75 25.64 3.95 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 102.607 -3.108 . . . . 0.0 102.607 -170.653 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.82 71.35 0.12 Allowed Glycine 0 N--CA 1.423 -2.233 1 CA-C-N 108.178 -4.101 . . . . 0.0 112.469 -173.903 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' C ' ' N ' ' A' ' 13' ' ' GLY . 13.7 p80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.873 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.873 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.88 -34.5 7.61 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 1.3 t60 52.69 -106.37 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.086 179.806 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 p-80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.22 -152.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.31 24.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.174 -179.979 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -169.93 -13.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.713 0.292 . . . . 0.0 110.625 179.951 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 4' ' ' ALA . 19.0 mt 53.3 100.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.409 -179.956 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.862 ' C ' ' H ' ' A' ' 8' ' ' GLY . 16.1 pt -149.91 32.53 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -86.38 28.74 0.82 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 100.584 -3.858 . . . . 0.0 100.584 168.067 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.862 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 54.16 74.0 0.35 Allowed Glycine 0 N--CA 1.414 -2.826 0 CA-C-N 108.871 -3.786 . . . . 0.0 111.459 -175.875 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.1 t60 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.528 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 20' ' ' ILE . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' H ' ' N ' ' A' ' 19' ' ' MET . 9.3 t-20 45.01 50.55 9.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.64 -64.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.139 -1.392 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.996 . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp 59.0 17.5 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.39 19.22 39.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.04 -179.887 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -168.6 125.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 -179.948 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.02 13.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.939 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.618 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.24 -139.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.735 -179.983 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 53.85 25.66 5.45 Favored 'General case' 0 C--N 1.345 0.413 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 -170.504 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.9 82.05 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.291 -4.05 . . . . 0.0 112.438 -173.767 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 43.34 51.14 5.98 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 47.38 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 113.805 -1.543 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.974 . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt 51.27 -161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.45 -63.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.017 179.994 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -164.18 -0.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -74.8 13.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.13 179.961 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.0 tt -158.96 -149.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.062 -179.939 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.718 ' N ' HG23 ' A' ' 6' ' ' ILE . 43.9 mmtm 54.27 25.87 6.27 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 -170.167 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 88.25 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.371 -4.013 . . . . 0.0 112.305 -174.015 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 22.5 p80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -76.3 -29.36 57.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.427 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 13.6 t60 55.37 97.28 0.02 OUTLIER 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.28 145.89 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.961 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.11 -54.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.01 -179.993 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.59 -5.13 49.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.811 0.339 . . . . 0.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp 54.19 83.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.0 tt -149.68 -152.17 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.718 ' N ' HG23 ' A' ' 6' ' ' ILE . 77.7 tttt 56.13 25.71 9.35 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 101.977 -3.342 . . . . 0.0 101.977 -170.17 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.45 83.91 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 1 CA-C-N 108.391 -4.004 . . . . 0.0 112.414 -174.186 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -84.82 -31.5 23.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 77.1 t60 53.8 8.32 0.15 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.902 179.672 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' ASN . 59.5 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.288 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 082 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.9 mp -67.23 169.76 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.036 179.915 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.51 41.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.991 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.411 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -170.28 -3.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' ' H ' ' A' ' 4' ' ' ALA . 13.3 mt 54.98 105.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 179.959 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 10.8 pt -96.84 -147.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.788 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 54.36 25.71 6.25 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 102.282 -3.229 . . . . 0.0 102.282 -169.898 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.91 83.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 108.52 -3.945 . . . . 0.0 112.033 -173.646 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.539 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' CE2' ' NE2' ' A' ' 24' ' ' HIS . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -107.15 -11.42 15.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -38.93 -91.8 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.134 179.412 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 25.0 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 083 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -75.02 164.54 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.1 -47.34 54.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.024 -179.94 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.3 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.74 16.06 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.109 -179.936 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.08 -140.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.3 mttp 53.86 25.75 5.54 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -170.396 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.44 84.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.268 -173.741 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.622 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 37.82 60.4 1.18 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -59.54 -50.02 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.648 -179.907 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 3.2 t60 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 084 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 2' ' ' LEU . 1.9 tt -71.94 85.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 -179.951 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 86.35 0.74 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.889 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.17 -89.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 179.893 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.0 mp -54.08 -13.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.202 -179.971 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.1 pt -146.39 -148.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 -179.818 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 tttm 55.74 25.29 8.14 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 102.221 -3.252 . . . . 0.0 102.221 -170.043 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.07 71.02 0.13 Allowed Glycine 0 N--CA 1.425 -2.096 1 CA-C-N 108.29 -4.05 . . . . 0.0 112.345 -174.448 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' PHE . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' H ' ' H ' ' A' ' 14' ' ' ARG . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.794 HG23 ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.794 ' H ' HG23 ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 42.18 60.9 2.14 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.42 -67.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 -179.862 . . . . . . . . 0 0 . 1 . 085 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 78.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 mt 53.64 -157.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.42 5.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.155 179.984 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -60.77 -149.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.771 0.32 . . . . 0.0 110.497 179.947 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.3 23.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt 50.31 -143.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 53.65 25.65 5.14 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 102.323 -3.214 . . . . 0.0 102.323 -170.461 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.73 86.82 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.049 1 CA-C-N 108.315 -4.039 . . . . 0.0 112.262 -173.829 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.485 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 41.28 54.33 3.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 53.06 89.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.897 -1.502 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 -179.983 . . . . . . . . 0 0 . 1 . 086 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.331 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 086 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.25 -17.42 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 -179.948 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.76 37.12 51.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.87 180.0 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.41 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.34 77.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -127.72 -148.86 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 55.14 25.82 7.6 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 -170.317 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.85 94.65 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.334 -4.03 . . . . 0.0 112.164 -173.955 . . . . . . . . 3 3 . 1 . 086 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.843 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.843 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 -114.92 23.21 12.77 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 9.6 m-70 46.54 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 086 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' O ' ' A' ' 2' ' ' LEU . 70.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -87.91 158.29 18.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.1 179.973 . . . . . . . . 3 3 . 1 . 087 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -178.33 -6.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 -179.992 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -170.59 9.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.58 -37.43 87.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.078 -179.906 . . . . . . . . 3 3 . 1 . 087 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -110.23 -142.69 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 6' ' ' ILE . 53.3 mttm 53.43 25.89 5.02 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 102.435 -3.172 . . . . 0.0 102.435 -170.439 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.7 75.36 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.937 1 CA-C-N 108.311 -4.04 . . . . 0.0 111.974 -173.493 . . . . . . . . 3 3 . 1 . 087 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' N ' HG22 ' A' ' 10' ' ' ILE . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.876 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.876 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 -84.09 -31.13 25.47 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' GLY . 54.3 t-80 46.98 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 087 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.564 179.983 . . . . . . . . 0 0 . 1 . 088 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 088 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.36 -41.43 89.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.05 -57.54 4.85 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.727 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.27 -165.56 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 0.0 110.313 179.854 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.28 56.16 1.85 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.194 179.885 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -136.38 -142.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt 53.75 25.71 5.35 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 -170.479 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.49 84.86 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.121 1 CA-C-N 108.247 -4.069 . . . . 0.0 112.655 -173.932 . . . . . . . . 3 3 . 1 . 088 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 46.75 49.84 13.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 2 2 . 1 . 088 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -56.62 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.647 -179.826 . . . . . . . . 1 1 . 1 . 088 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.55 -179.937 . . . . . . . . 0 0 . 1 . 089 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 089 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.91 -24.08 66.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.15 -39.51 1.41 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.892 -179.935 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.16 -176.68 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.94 103.73 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 -179.94 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.2 pt -146.88 -149.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.308 179.745 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt 53.86 25.87 5.66 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 -170.447 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 79.29 0.03 OUTLIER Glycine 0 N--CA 1.423 -2.179 1 CA-C-N 108.259 -4.064 . . . . 0.0 112.255 -173.769 . . . . . . . . 3 3 . 1 . 089 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.526 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.866 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.866 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 -85.79 -32.62 21.71 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 2 2 . 1 . 089 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 58.04 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.62 179.086 . . . . . . . . 1 1 . 1 . 089 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASN . 8.4 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 090 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.7 mp -65.59 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.93 39.5 94.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.052 179.888 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.39 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.88 -4.46 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.663 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.4 tt -160.19 -149.37 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.124 179.968 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.663 ' N ' HG23 ' A' ' 6' ' ' ILE . 66.1 mmtt 55.12 25.96 7.72 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 102.086 -3.301 . . . . 0.0 102.086 -169.966 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.53 76.92 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.87 0 CA-C-N 108.495 -3.957 . . . . 0.0 112.073 -173.818 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 45.2 61.63 2.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 64.0 t-80 -72.95 161.36 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.742 -179.821 . . . . . . . . 2 2 . 1 . 090 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 12.6 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LEU . 51.8 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -46.81 174.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.851 . . . . . . . . 3 3 . 1 . 091 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.89 -12.3 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.171 -179.888 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.02 94.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -172.06 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 179.833 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' C ' ' N ' ' A' ' 8' ' ' GLY . 27.6 pt -108.93 -146.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.88 25.97 5.76 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 102.215 -3.254 . . . . 0.0 102.215 -170.269 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.614 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.87 78.53 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.095 1 CA-C-N 108.348 -4.024 . . . . 0.0 112.298 -174.016 . . . . . . . . 3 3 . 1 . 091 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 15' ' ' PHE . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.8 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.8 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' HIS . 51.2 t30 -107.57 -24.71 11.67 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 2 2 . 1 . 091 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 51.24 -86.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 091 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' ASN . 23.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 179.722 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 092 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.0 150.59 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.8 -9.13 4.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.928 179.934 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -72.99 135.61 45.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -77.38 34.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -79.96 -150.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.043 179.736 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.711 ' N ' HG23 ' A' ' 6' ' ' ILE . 49.2 mttp 53.3 25.41 4.44 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -170.484 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.03 83.42 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.349 1 CA-C-N 108.267 -4.06 . . . . 0.0 112.486 -174.062 . . . . . . . . 3 3 . 1 . 092 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.608 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' N ' ' A' ' 19' ' ' MET . 2.7 p-10 43.8 50.53 6.85 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 24.9 p80 40.63 48.45 2.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 113.816 -1.538 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 092 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.772 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 093 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -165.13 178.28 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.925 . . . . . . . . 3 3 . 1 . 093 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.62 16.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.894 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.48 -17.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.92 -51.03 71.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.725 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.8 pt -84.37 -151.16 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.115 179.519 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm 55.38 25.33 7.5 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 102.142 -3.281 . . . . 0.0 102.142 -170.662 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.14 79.15 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.254 1 CA-C-N 108.158 -4.11 . . . . 0.0 112.27 -173.902 . . . . . . . . 3 3 . 1 . 093 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.547 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 16' ' ' ILE . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.7 p-10 44.56 49.78 8.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 2 2 . 1 . 093 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -52.23 -33.0 39.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 093 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.504 179.987 . . . . . . . . 0 0 . 1 . 094 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 094 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -51.66 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.908 . . . . . . . . 3 3 . 1 . 094 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.76 31.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.927 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.91 162.22 11.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.2 mp -78.31 74.51 4.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.429 -179.928 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.2 mt 54.68 -137.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 53.61 25.52 4.98 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 -170.5 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.612 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.24 80.03 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.957 1 CA-C-N 108.255 -4.066 . . . . 0.0 112.304 -173.744 . . . . . . . . 3 3 . 1 . 094 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 3 3 . 1 . 094 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.562 ' N ' HG22 ' A' ' 10' ' ' ILE . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 -84.24 -36.58 22.61 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 12.2 m170 61.43 -179.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.546 179.26 . . . . . . . . 2 2 . 1 . 094 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.995 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 095 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 2' ' ' LEU . 8.7 mp -69.79 175.07 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.133 -179.877 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.6 36.28 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.02 -179.964 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . 56.16 -158.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.522 179.963 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt 56.05 21.78 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 -179.857 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.4 tt -147.24 -152.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.633 179.585 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 52.1 mtpt 53.66 25.84 5.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.348 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.28 68.49 0.21 Allowed Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.272 -4.058 . . . . 0.0 112.02 -173.873 . . . . . . . . 3 3 . 1 . 095 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 t30 43.78 48.58 6.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 2 2 . 1 . 095 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -78.73 -2.58 40.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 095 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 42.5 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 3' ' ' GLY . 74.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? 51.63 14.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.13 -179.91 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 1' ' ' PHE . . . 72.32 -80.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.019 179.989 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.98 135.47 36.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.497 -179.898 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.62 70.73 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 36.2 pt -139.55 -142.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 53.59 25.85 5.23 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 102.347 -3.205 . . . . 0.0 102.347 -170.465 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.03 83.36 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.14 0 CA-C-N 108.408 -3.996 . . . . 0.0 112.413 -173.963 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.804 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.804 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 24' ' ' HIS . 62.8 t30 -115.13 -15.84 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 2 2 . 1 . 096 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 42.21 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 179.687 . . . . . . . . 1 1 . 1 . 096 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.0 p80 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 097 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.3 mp -61.16 -88.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.081 -179.959 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.06 42.69 96.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.081 179.926 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -163.33 -58.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.48 35.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.785 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.882 ' C ' ' H ' ' A' ' 8' ' ' GLY . 21.9 pt -154.4 31.09 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -85.09 27.99 0.74 Allowed 'General case' 0 C--O 1.231 0.125 0 N-CA-C 100.908 -3.738 . . . . 0.0 100.908 168.279 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.882 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 56.2 84.61 0.03 OUTLIER Glycine 0 N--CA 1.412 -2.904 0 CA-C-N 108.815 -3.811 . . . . 0.0 111.808 -176.288 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 13' ' ' GLY . 55.3 m-70 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.541 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 45.21 60.94 2.76 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 2 2 . 1 . 097 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -68.81 129.49 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.947 -1.479 . . . . 0.0 110.418 179.79 . . . . . . . . 1 1 . 1 . 097 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.446 -179.88 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 098 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.47 93.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.67 -73.71 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.899 -179.917 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.58 -42.73 11.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.921 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -167.09 -60.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 -179.909 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.6 tt -167.2 -148.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.741 ' N ' HG23 ' A' ' 6' ' ' ILE . 64.0 mttm 54.04 24.91 5.05 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 102.683 -3.08 . . . . 0.0 102.683 -170.386 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.92 74.82 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.145 -4.116 . . . . 0.0 111.884 -174.117 . . . . . . . . 3 3 . 1 . 098 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.547 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.4 t-20 45.68 49.43 11.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 2 2 . 1 . 098 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -61.52 121.97 14.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 098 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.503 179.989 . . . . . . . . 0 0 . 1 . 099 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.756 0.313 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 099 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.58 -149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.463 179.892 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.49 -44.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.05 -179.989 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.95 152.18 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 -179.866 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.62 43.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 -179.986 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.39 -139.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 52.95 25.8 4.25 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 102.437 -3.172 . . . . 0.0 102.437 -170.41 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.88 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.055 1 CA-C-N 108.297 -4.047 . . . . 0.0 112.446 -173.831 . . . . . . . . 3 3 . 1 . 099 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.2 t-80 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' H ' ' H ' ' A' ' 18' ' ' GLY . 59.0 t-80 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.813 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' N ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.813 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 -115.28 24.19 11.84 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' MET . 20.4 t-160 -50.74 -66.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 179.907 . . . . . . . . 2 2 . 1 . 099 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 0 0 . 1 . 100 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 100 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.63 172.1 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.36 -15.39 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.965 179.99 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.25 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.531 -179.951 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.47 -9.82 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.869 ' C ' ' H ' ' A' ' 8' ' ' GLY . 3.2 mm 50.3 34.7 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.674 179.968 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -85.66 28.76 0.74 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 168.33 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.869 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 52.57 66.3 2.75 Favored Glycine 0 N--CA 1.412 -2.928 0 CA-C-N 108.905 -3.77 . . . . 0.0 111.624 -175.932 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.84 HG23 ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.84 ' H ' HG23 ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.622 ' H ' HG21 ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' MET . 3.0 p-10 44.02 52.31 6.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 2 2 . 1 . 100 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 54.85 -173.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 100 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 10' ' ' ILE . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.9 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.122 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.862 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.862 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 2.4 t-20 . . . . . 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.314 0.396 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.532 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.235 0 CA-C-O 121.346 0.415 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.52 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.844 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.57 ' N ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.844 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 . . . . . 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.2 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG22 ' A' ' 10' ' ' ILE . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.843 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.843 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 . . . . . 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.024 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.497 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.823 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.823 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.237 0 CA-C-O 121.325 0.403 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' ILE . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 17' ' ' HIS . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.783 ' H ' HG23 ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.642 ' H ' HG21 ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.8 p30 . . . . . 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' C ' ' H ' ' A' ' 10' ' ' ILE . . . . . . . . 0 N--CA 1.421 -2.333 0 CA-C-O 121.203 0.335 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.784 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.784 ' H ' ' CA ' ' A' ' 19' ' ' MET . 5.2 m120 . . . . . 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.33 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.84 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' H ' ' H ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.84 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 . . . . . 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.242 0 CA-C-O 121.091 0.273 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 29.5 t30 . . . . . 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.044 0 CA-C-O 121.316 0.398 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 . . . . . 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 CA-C-O 121.301 0.389 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.133 0 CA-C-O 121.348 0.416 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.251 0.361 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 10' ' ' ILE . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.331 0 N-CA-C 112.391 -0.284 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 20' ' ' ILE . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.886 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 20' ' ' ILE . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.886 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 22' ' ' ASN . 1.1 m-80 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.127 0 CA-C-O 121.331 0.406 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.701 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' N ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.701 ' H ' ' CA ' ' A' ' 19' ' ' MET . 7.7 t-20 . . . . . 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 CA-C-O 121.306 0.392 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.889 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.889 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 . . . . . 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.423 -2.197 0 N-CA-C 112.165 -0.374 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.859 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.859 ' H ' ' C ' ' A' ' 19' ' ' MET . 25.2 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.271 0.373 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ALA . 41.9 t60 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.151 0 CA-C-O 121.232 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.811 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.558 ' H ' ' H ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.811 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.073 0 CA-C-O 121.402 0.446 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.817 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.573 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.817 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 CA-C-O 121.241 0.356 . . . . 0.0 112.223 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.867 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.664 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.867 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 . . . . . 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.137 0 CA-C-O 121.281 0.378 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.177 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.157 0 CA-C-O 121.221 0.345 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 26.9 t30 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.267 0 CA-C-O 121.119 0.289 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.86 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.86 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 N-CA-C 112.114 -0.394 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.1 m80 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.811 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.811 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.158 0 CA-C-O 121.111 0.284 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 16' ' ' ILE . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.847 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.847 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.127 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.882 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.882 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 . . . . . 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.989 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 12.9 t-160 -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.554 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.827 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.827 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.554 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.057 0 N-CA-C 112.14 -0.384 . . . . 0.0 112.14 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.607 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.607 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.573 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.573 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 . . . . . 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.414 -2.776 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.524 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' N ' ' A' ' 19' ' ' MET . 18.8 p30 . . . . . 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.041 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.833 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.833 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.377 0.431 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.257 0 CA-C-O 121.419 0.455 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.546 ' N ' HG22 ' A' ' 10' ' ' ILE . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.816 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.816 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.301 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' H ' ' H ' ' A' ' 18' ' ' GLY . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.799 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' H ' ' H ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.799 ' H ' ' N ' ' A' ' 19' ' ' MET . 8.7 t-20 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.132 0 CA-C-O 121.289 0.383 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.831 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.831 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 m120 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.156 0 N-CA-C 112.086 -0.405 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' CA ' HE21 ' A' ' 21' ' ' GLN . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.753 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.554 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.753 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 . . . . . 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.184 0 CA-C-O 121.347 0.415 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.535 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.8 t30 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.419 -2.466 0 N-CA-C 112.79 -0.124 . . . . 0.0 112.79 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 11' ' ' HIS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.519 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 17' ' ' HIS . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.55 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-O 121.309 0.394 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 13' ' ' GLY . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.884 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.884 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.997 0 CA-C-O 121.304 0.391 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 16' ' ' ILE . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.446 HD22 ' C ' ' A' ' 21' ' ' GLN . 1.9 m120 . . . . . 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.155 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' ILE . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.823 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.578 ' N ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.823 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.238 0.355 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.161 0 CA-C-O 121.356 0.42 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 . . . . . 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.069 0 CA-C-O 121.357 0.42 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 8.1 p30 . . . . . 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.312 0.396 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' N ' HG22 ' A' ' 10' ' ' ILE . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.895 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.895 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.432 0.462 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.524 ' N ' HG22 ' A' ' 10' ' ' ILE . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 16' ' ' ILE . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' PHE . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.78 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.78 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 . . . . . 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.114 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.505 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.835 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.835 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.426 -2.028 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 80.0 t60 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.543 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 . . . . . 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.176 0 CA-C-O 121.396 0.442 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.534 ' N ' HG22 ' A' ' 10' ' ' ILE . 30.9 m80 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.54 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.671 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.06 0 CA-C-O 121.193 0.329 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.625 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 t-20 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.105 0 N-CA-C 112.242 -0.343 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.55 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.668 ' O ' HG22 ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.5 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.6 p-10 . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.217 0 CA-C-O 121.336 0.409 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.426 -2.012 0 CA-C-O 121.417 0.454 . . . . 0.0 112.198 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' N ' HG22 ' A' ' 10' ' ' ILE . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.778 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.778 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 . . . . . 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.113 0 CA-C-O 121.265 0.37 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.634 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 . . . . . 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.097 0 CA-C-O 121.304 0.391 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.839 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.839 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 13.0 m120 . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.031 0 CA-C-O 121.387 0.437 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.528 ' N ' HG22 ' A' ' 10' ' ' ILE . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.727 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 21' ' ' GLN . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.715 ' N ' HD12 ' A' ' 20' ' ' ILE . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.727 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.092 0 CA-C-O 121.252 0.362 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.58 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 20' ' ' ILE . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.58 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 . . . . . 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.152 0 CA-C-O 121.38 0.434 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.849 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.849 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.423 -2.195 0 CA-C-O 121.333 0.407 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 . . . . . 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.218 0 CA-C-O 121.238 0.355 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' NE2' ' NH1' ' A' ' 14' ' ' ARG . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 . . . . . 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.424 -2.109 0 CA-C-O 121.271 0.373 . . . . 0.0 112.172 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' HG22 ' A' ' 10' ' ' ILE . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.805 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.608 ' N ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.805 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.2 t-20 . . . . . 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.057 0 CA-C-O 121.147 0.304 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' ILE . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' GLY . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.819 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' N ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.819 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 . . . . . 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.135 0 CA-C-O 121.283 0.38 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' ILE . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' PHE . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.871 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.871 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 CA-C-O 121.327 0.404 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 10' ' ' ILE . 74.9 t60 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.87 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.87 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.6 m120 . . . . . 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.199 0 CA-C-O 121.353 0.419 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' H ' ' H ' ' A' ' 12' ' ' GLY . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.122 0 CA-C-O 121.344 0.413 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.4 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 . . . . . 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.165 0 CA-C-O 121.391 0.44 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.867 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.867 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' ILE . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.111 0 CA-C-O 121.289 0.383 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.2 p30 . . . . . 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.015 0 CA-C-O 121.338 0.41 . . . . 0.0 113.238 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 9' ' ' ALA . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 t30 . . . . . 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.142 0 CA-C-O 121.333 0.407 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.516 ' N ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' N ' ' A' ' 19' ' ' MET . 31.0 t30 . . . . . 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.7 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.146 0 CA-C-O 121.254 0.363 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.423 -2.233 0 CA-C-O 121.082 0.268 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' C ' ' N ' ' A' ' 13' ' ' GLY . 5.0 p-80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.873 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.873 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.826 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 21.2 t-160 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.528 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.685 ' O ' HG22 ' A' ' 20' ' ' ILE . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' H ' ' N ' ' A' ' 19' ' ' MET . 9.3 t-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.051 0 CA-C-O 121.382 0.434 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.134 0 CA-C-O 121.24 0.356 . . . . 0.0 112.305 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 7.9 p-80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.208 0 CA-C-O 121.29 0.383 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.042 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 082 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.539 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 0 0 . 1 . 083 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.106 0 CA-C-O 121.327 0.404 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.622 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 . . . . . 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.096 0 CA-C-O 121.186 0.325 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' PHE . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' H ' ' H ' ' A' ' 14' ' ' ARG . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.794 HG23 ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.794 ' H ' HG23 ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 . . . . . 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.049 0 CA-C-O 121.306 0.392 . . . . 0.0 112.262 . . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 13.6 p30 . . . . . 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.187 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 086 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.843 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.843 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 . . . . . 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.937 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 087 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' N ' HG22 ' A' ' 10' ' ' ILE . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.876 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.876 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.121 0 CA-C-O 121.414 0.452 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 088 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.179 0 CA-C-O 121.334 0.408 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 089 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.526 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.866 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.866 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 . . . . . 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 N-CA-C 112.073 -0.411 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 090 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 . . . . . 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.095 0 CA-C-O 121.326 0.403 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 091 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 15' ' ' PHE . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.8 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.8 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.2 t30 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 0 0 . 1 . 092 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.349 0 CA-C-O 121.276 0.376 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 092 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.608 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' N ' ' A' ' 19' ' ' MET . 2.7 p-10 . . . . . 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.254 0 CA-C-O 121.307 0.393 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 093 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.547 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 16' ' ' ILE . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 3.4 p30 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.957 0 CA-C-O 121.322 0.401 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 094 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.562 ' N ' HG22 ' A' ' 10' ' ' ILE . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 112.02 -0.432 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.3 t-20 . . . . . 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.424 -2.14 0 CA-C-O 121.35 0.416 . . . . 0.0 112.413 . . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.804 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.804 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 0 0 . 1 . 097 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.904 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 097 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 13' ' ' GLY . 18.7 m80 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.541 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.085 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 098 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.547 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.4 t-20 . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . . . . . . 0 N--CA 1.425 -2.055 0 CA-C-O 121.327 0.404 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.436 ' H ' ' H ' ' A' ' 12' ' ' GLY . 53.9 t60 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' H ' ' H ' ' A' ' 18' ' ' GLY . 54.3 t60 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.813 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.576 ' N ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.813 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 . . . . . 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . . . . . . . . 0 N--CA 1.412 -2.928 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 . . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.84 HG23 ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.84 ' H ' HG23 ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.622 ' H ' HG21 ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 p30 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.912 0.387 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.3 mp -71.3 -44.4 65.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.047 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 -46.21 2.41 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.024 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.97 123.97 26.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.3 mp -79.56 28.7 0.25 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.956 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG23 ' N ' ' A' ' 7' ' ' LYS . 1.7 tp 35.54 -156.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.299 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.707 ' N ' HG23 ' A' ' 6' ' ' ILE . 16.6 tptm 55.76 25.55 8.48 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 101.993 -3.336 . . . . 0.0 101.993 -170.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.74 82.73 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.065 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.003 -173.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.76 72.95 0.43 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.33 -67.84 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 O-C-N 123.816 0.698 . . . . 0.0 109.335 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' N ' HG22 ' A' ' 10' ' ' ILE . 79.0 t60 -157.91 3.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.57 8.73 4.72 Favored Glycine 0 C--N 1.333 0.416 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.684 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.03 64.94 2.99 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.809 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -165.6 -23.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.43 -53.51 57.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.024 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 16.4 mt -67.0 -78.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.812 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 37.6 m-70 -167.6 77.82 0.17 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.26 32.6 77.25 Favored Glycine 0 C--O 1.202 -1.88 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.573 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.0 ttt 72.01 0.44 3.55 Favored 'General case' 0 CA--C 1.485 -1.546 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.206 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' C ' ' NE2' ' A' ' 21' ' ' GLN . 7.0 mm 61.78 -11.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 -175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.9 mp0 -112.55 -0.7 15.11 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.053 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 t-20 -128.96 -32.55 2.06 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 11.7 t-160 46.03 -107.71 0.15 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.899 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 75.6 t60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.775 0.321 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.17 86.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.28 -8.45 70.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 111.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -69.82 143.23 52.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt -78.44 30.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mt 47.18 -143.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt 53.38 25.24 4.42 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 -170.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.79 79.23 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.236 -4.074 . . . . 0.0 111.918 -173.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 62.16 73.97 0.45 Allowed 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 41.86 -87.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.228 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 9' ' ' ALA . 49.7 t-80 -134.44 40.3 3.0 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.44 54.22 37.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.942 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.1 61.11 5.13 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -155.31 -24.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -48.61 -54.02 16.21 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.464 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -81.91 -76.91 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.326 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -172.83 73.31 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 61.18 55.58 28.59 Favored Glycine 0 CA--C 1.493 -1.318 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.862 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.9 ttt 37.25 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.355 0 CA-C-N 114.568 -0.816 . . . . 0.0 113.006 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.62 -2.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 -174.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.862 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.1 mt-30 -141.78 -18.56 0.75 Allowed 'General case' 0 C--N 1.357 0.905 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.571 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' GLY . 2.4 t-20 -85.4 -37.37 19.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 5.5 t-80 74.05 -167.14 0.1 Allowed 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.585 178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 79.6 m80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.676 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.5 mt 52.9 78.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.35 87.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.108 -0.567 . . . . 0.0 111.828 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.46 12.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.777 0.322 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 50.7 18.74 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.617 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm 48.52 -141.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.285 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 mttp 53.38 25.66 4.75 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 -170.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.617 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.74 86.28 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.294 -4.048 . . . . 0.0 112.298 -173.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 53.82 70.35 0.61 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.174 -0.513 . . . . 0.0 109.626 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -68.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 123.771 0.669 . . . . 0.0 109.436 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.532 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.6 t-80 -148.87 -2.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.18 52.31 0.31 Allowed Glycine 0 N--CA 1.464 0.548 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.034 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.44 62.77 2.36 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.249 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -132.96 -55.94 0.93 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 21' ' ' GLN . 9.2 t80 -59.35 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.862 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -82.44 50.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -138.03 -64.27 0.54 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.22 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -59.26 -61.7 7.01 Favored Glycine 0 CA--C 1.503 -0.657 0 N-CA-C 107.915 -2.074 . . . . 0.0 107.915 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.564 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER 171.99 82.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 113.535 -1.333 . . . . 0.0 109.243 175.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.47 15.22 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' PHE . 2.2 pt20 105.25 25.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 112.477 -2.147 . . . . 0.0 106.473 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.4 t30 52.43 39.29 27.33 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.749 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 43.85 29.78 0.33 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.129 -1.396 . . . . 0.0 110.953 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.84 -47.07 27.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 33.37 55.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.102 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.05 46.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.4 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.19 -9.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.218 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.615 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.41 -142.12 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.9 mttp 52.97 25.37 3.96 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 102.628 -3.101 . . . . 0.0 102.628 -170.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.42 78.67 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.235 1 CA-C-N 108.247 -4.07 . . . . 0.0 112.27 -173.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.99 72.24 0.51 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.924 -0.638 . . . . 0.0 109.824 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.0 mt 67.1 -68.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 O-C-N 123.856 0.723 . . . . 0.0 109.528 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.52 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.7 t60 -159.92 7.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.82 37.84 4.32 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.651 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.82 35.44 91.98 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.145 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -107.48 -24.71 11.7 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.67 0.271 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -61.53 -40.79 95.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.3 tt -171.09 71.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.882 0.849 . . . . 0.0 110.0 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' H ' ' H ' ' A' ' 18' ' ' GLY . 11.6 t-160 -174.19 -13.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.2 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -162.64 55.34 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.974 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.844 ' N ' ' H ' ' A' ' 22' ' ' ASN . 11.2 ttt -177.56 -60.86 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.54 -8.53 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 103.233 -2.877 . . . . 0.0 103.233 172.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.57 ' N ' ' C ' ' A' ' 19' ' ' MET . 46.7 tt0 -121.72 -24.82 5.19 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.233 177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.844 ' H ' ' N ' ' A' ' 19' ' ' MET . 26.9 t-20 -115.27 23.38 12.51 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.572 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 19' ' ' MET . 98.5 m-70 45.49 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.812 0.339 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.775 0.321 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.56 -154.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.92 22.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.99 46.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.793 0.33 . . . . 0.0 110.541 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.8 mt 52.32 23.51 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.693 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -75.81 -149.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.948 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.693 ' N ' HG23 ' A' ' 6' ' ' ILE . 67.0 mttm 53.35 25.74 4.78 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.451 -3.166 . . . . 0.0 102.451 -170.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.615 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.72 78.22 0.04 OUTLIER Glycine 0 N--CA 1.423 -2.2 1 CA-C-N 108.246 -4.07 . . . . 0.0 112.115 -173.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.01 71.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.972 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.12 -70.1 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 O-C-N 123.641 0.588 . . . . 0.0 109.646 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG22 ' A' ' 10' ' ' ILE . 82.1 t60 -154.46 4.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.62 46.79 1.17 Allowed Glycine 0 N--CA 1.462 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.04 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.46 72.67 0.32 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.318 -0.468 . . . . 0.0 112.27 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.5 tpt180 -164.4 -19.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 0.0 110.102 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -51.65 -12.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' N ' ' C ' ' A' ' 14' ' ' ARG . 10.8 mt -144.1 -75.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.053 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -172.06 67.61 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.632 ' CA ' ' H ' ' A' ' 23' ' ' HIS . . . 85.32 30.56 24.67 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.843 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 61.61 1.05 0.54 Allowed 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.052 -177.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 ' H ' ' C ' ' A' ' 18' ' ' GLY . 4.7 mm 59.91 -5.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.843 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.0 tp60 -142.53 32.74 1.46 Allowed 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.988 178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.0 t-20 -154.21 -60.26 0.12 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.661 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.632 ' H ' ' CA ' ' A' ' 18' ' ' GLY . 11.7 t-80 38.49 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 119.566 -0.854 . . . . 0.0 111.673 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 35.3 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.773 0.32 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tp -166.2 -40.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.62 -60.83 3.29 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.171 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.7 -42.51 57.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 0.0 110.637 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 tp 52.78 32.08 11.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.273 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.58 -142.09 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.787 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt 53.65 25.27 4.83 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.503 -3.147 . . . . 0.0 102.503 -170.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 76.33 0.04 OUTLIER Glycine 0 N--CA 1.426 -2.024 1 CA-C-N 108.359 -4.019 . . . . 0.0 111.96 -173.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.14 73.11 0.42 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.884 -0.658 . . . . 0.0 109.268 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.61 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.891 0.744 . . . . 0.0 109.433 -178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.497 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.2 t60 -157.02 2.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.77 8.21 2.82 Favored Glycine 0 C--N 1.334 0.423 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.706 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.11 61.58 4.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.091 -0.576 . . . . 0.0 111.913 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -160.08 -35.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -80.05 104.62 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 pt 37.66 58.24 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-O 121.332 0.586 . . . . 0.0 110.41 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -147.12 -28.83 0.37 Allowed 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.142 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.41 45.45 Favored Glycine 0 CA--C 1.502 -0.77 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.823 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.9 ttt 175.48 17.94 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.58 0 CA-C-N 113.386 -1.407 . . . . 0.0 108.662 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.3 mm 63.61 -8.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.823 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.9 tm0? -116.5 -34.24 4.63 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.275 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.5 -12.4 22.67 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -52.49 -12.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.836 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' NE2' ' NE2' ' A' ' 23' ' ' HIS . 77.0 m-70 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.262 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.5 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.9 123.21 20.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.22 -14.23 8.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.964 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.4 142.25 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.757 0.313 . . . . 0.0 110.518 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.3 mt -74.62 67.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.9 pt -84.88 -151.69 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.482 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt 53.92 25.91 5.78 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 102.185 -3.265 . . . . 0.0 102.185 -170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.42 77.8 0.04 OUTLIER Glycine 0 N--CA 1.422 -2.237 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.114 -173.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.54 68.51 0.75 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.12 -0.54 . . . . 0.0 110.094 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.7 OUTLIER 66.52 -67.02 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 O-C-N 123.62 0.575 . . . . 0.0 109.666 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' ILE . 73.6 t60 -159.27 7.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.28 32.83 2.67 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.24 75.85 0.17 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.011 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -172.15 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -52.15 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.783 HG23 ' H ' ' A' ' 17' ' ' HIS . 4.0 tp -71.19 -67.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.433 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.783 ' H ' HG23 ' A' ' 16' ' ' ILE . 57.3 t-80 -169.69 39.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.788 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.69 -41.88 1.92 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.7 ttt 153.07 85.33 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.384 -1.408 . . . . 0.0 109.336 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.642 ' H ' HG21 ' A' ' 16' ' ' ILE . 14.8 mt 61.05 21.15 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 28.0 tt0 89.89 32.74 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 112.687 -2.052 . . . . 0.0 105.497 -176.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.8 p30 44.25 58.44 3.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 113.24 -1.8 . . . . 0.0 110.095 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -143.82 152.42 41.17 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 113.597 -1.638 . . . . 0.0 110.326 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 1.4 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.15 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.378 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.417 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . 167.62 0.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -163.24 -2.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.157 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.3 mp 52.56 84.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.281 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 26.1 pt -155.64 -161.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.906 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' HIS . 52.6 mtpt 54.23 25.07 5.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 -169.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.65 59.31 5.49 Favored Glycine 0 N--CA 1.421 -2.333 1 CA-C-N 108.029 -4.168 . . . . 0.0 112.418 -174.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.0 1.57 0.67 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.12 -0.54 . . . . 0.0 111.455 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -161.6 -89.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.967 0.413 . . . . 0.0 110.196 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.6 t60 -144.25 22.74 1.69 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.38 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.15 52.46 4.57 Favored Glycine 0 C--N 1.331 0.264 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.79 74.44 0.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.087 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -167.55 -29.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.377 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.199 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 tt -169.46 68.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.054 0.931 . . . . 0.0 109.854 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -172.24 -19.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.746 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -156.2 51.94 0.43 Allowed Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.784 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 20.5 ttt -174.79 -64.07 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.9 mm -64.06 -8.39 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 172.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.584 ' H ' ' C ' ' A' ' 19' ' ' MET . 56.8 tt0 -114.89 -28.95 6.87 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 111.866 -2.424 . . . . 0.0 107.344 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.784 ' H ' ' CA ' ' A' ' 19' ' ' MET . 5.2 m120 -119.77 35.44 4.85 Favored 'General case' 0 C--N 1.381 1.952 0 C-N-CA 119.5 -0.88 . . . . 0.0 112.019 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' MET . 97.1 m-70 49.09 -86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.104 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 22' ' ' ASN . 43.1 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.737 0.303 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.2 mp -68.77 -16.91 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.47 1.15 7.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.93 126.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -71.72 93.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.238 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.1 pt -155.87 -162.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.947 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' HIS . 68.3 mttm 54.84 25.13 6.35 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 101.65 -3.463 . . . . 0.0 101.65 -169.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 46.2 56.84 6.71 Favored Glycine 0 N--CA 1.421 -2.33 1 CA-C-N 108.081 -4.145 . . . . 0.0 112.257 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 6' ' ' ILE . . . 62.04 4.87 1.28 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.188 -0.506 . . . . 0.0 111.331 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -162.48 -89.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-O 120.852 0.358 . . . . 0.0 110.187 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.9 t60 -149.28 28.83 0.8 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.582 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.41 36.91 22.38 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.391 -0.433 . . . . 0.0 112.079 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.84 44.58 94.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.093 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -131.79 -19.99 2.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.849 0.356 . . . . 0.0 110.048 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.04 -29.96 70.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.417 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 3.6 tt -169.8 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.851 0.834 . . . . 0.0 110.118 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 74.3 m-70 -163.07 -17.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.214 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.32 55.28 0.46 Allowed Glycine 0 C--N 1.33 0.214 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.84 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.1 ttt -177.44 -58.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.2 mp -66.59 -8.35 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' H ' ' H ' ' A' ' 19' ' ' MET . 43.2 tp60 -122.58 -24.88 4.83 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 111.937 -2.392 . . . . 0.0 107.874 177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.84 ' H ' ' N ' ' A' ' 19' ' ' MET . 50.5 t30 -115.42 24.79 11.32 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.485 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.9 t60 -42.92 129.86 4.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 111.209 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.796 0.331 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.7 mt 57.35 177.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.574 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.9 11.56 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.4 10.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.322 . . . . 0.0 110.501 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.6 mt 53.82 103.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.409 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG22 ' H ' ' A' ' 7' ' ' LYS . 3.4 mm 65.0 -141.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.764 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.127 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.599 ' H ' HG22 ' A' ' 6' ' ' ILE . 37.6 mmtm 54.12 25.44 5.64 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 -170.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.43 98.26 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.242 1 CA-C-N 108.208 -4.087 . . . . 0.0 112.42 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 34.32 56.3 0.65 Allowed 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.045 -0.578 . . . . 0.0 111.209 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.5 pt 36.99 -98.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 O-C-N 123.886 0.741 . . . . 0.0 110.687 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -45.25 -15.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -78.39 11.43 24.55 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -167.53 -6.3 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 16' ' ' ILE . 14.5 mmt85 -110.21 -39.45 4.99 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.997 -0.12 . . . . 0.0 110.769 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -60.34 88.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' ARG . 2.9 tt 40.35 76.92 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.42 0.628 . . . . 0.0 109.933 -177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 20.7 m170 -161.02 -53.05 0.05 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.716 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -54.42 -55.31 27.47 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 108.219 -1.953 . . . . 0.0 108.219 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER 172.82 81.33 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 113.725 -1.238 . . . . 0.0 109.185 175.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 62.41 18.41 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 6.0 tt0 98.27 30.1 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 112.178 -2.283 . . . . 0.0 106.418 -177.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 29.5 t30 47.95 43.49 17.76 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 113.998 -1.455 . . . . 0.0 109.452 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.536 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 24.6 t60 54.92 -114.45 0.87 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.792 0.33 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.4 mt 53.45 171.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.698 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.93 21.69 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.36 -13.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.468 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp 57.05 77.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.73 -141.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tptm 54.11 25.65 5.82 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 102.237 -3.246 . . . . 0.0 102.237 -170.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.75 84.8 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.044 1 CA-C-N 108.343 -4.026 . . . . 0.0 112.37 -173.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 57.19 45.53 20.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 76.17 -46.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.934 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' H ' ' H ' ' A' ' 12' ' ' GLY . 46.4 t-80 -166.77 -5.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.015 0.436 . . . . 0.0 110.077 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 131.2 29.67 0.59 Allowed Glycine 0 C--N 1.335 0.484 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.59 76.7 0.18 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -163.63 -53.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 110.464 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -48.76 -32.29 8.34 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.444 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -153.23 60.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.563 0.697 . . . . 0.0 109.96 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 55.6 t-80 -168.11 -15.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.991 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -143.39 50.4 0.69 Allowed Glycine 0 C--N 1.33 0.235 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' ' H ' ' A' ' 22' ' ' ASN . 43.1 ttp -175.45 -62.11 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.79 -5.57 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 172.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.585 ' H ' ' C ' ' A' ' 19' ' ' MET . 36.5 tt0 -120.76 -25.84 5.38 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-N 112.06 -2.336 . . . . 0.0 107.249 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.817 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t30 -118.27 29.54 7.72 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.914 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.605 ' N ' ' O ' ' A' ' 19' ' ' MET . 42.6 t-80 -165.4 154.87 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.537 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.832 0.348 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 55.78 67.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.9 -25.98 74.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -75.41 170.75 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.554 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.3 mp -77.73 22.15 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.107 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.33 -141.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm 53.65 25.67 5.16 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 -170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 95.44 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.262 -4.063 . . . . 0.0 112.516 -173.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.88 46.41 22.05 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.0 -0.6 . . . . 0.0 110.201 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 pt 36.76 -95.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.886 0.741 . . . . 0.0 110.658 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -48.83 -12.87 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -84.05 15.02 40.72 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.75 -8.14 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.53 -53.82 2.59 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.58 0.229 . . . . 0.0 111.183 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -65.87 104.9 1.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.321 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.2 pt 34.56 57.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 121.457 0.646 . . . . 0.0 110.934 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -147.27 -31.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.429 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.01 -32.69 3.35 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.5 mtt 152.31 15.29 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.356 0 CA-C-N 113.797 -1.201 . . . . 0.0 108.953 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.441 ' C ' ' CD2' ' A' ' 23' ' ' HIS . 8.7 mm 62.84 -8.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 104.856 -2.276 . . . . 0.0 104.856 -174.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 26.7 tp60 -111.51 -36.86 5.39 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.863 -1.517 . . . . 0.0 110.193 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' HIS . 11.7 m120 -100.63 -14.19 18.25 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 20' ' ' ILE . 0.3 OUTLIER -52.06 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.037 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.6 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.551 179.71 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 3' ' ' GLY . 21.8 t80 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.8 mt 53.22 9.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.697 0.284 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 77.45 -52.69 3.48 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.954 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -166.56 59.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.6 mp 55.77 -80.77 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.783 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 53.58 -140.14 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.583 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 53.06 25.74 4.34 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.519 -3.141 . . . . 0.0 102.519 -170.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.38 80.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.133 1 CA-C-N 108.248 -4.069 . . . . 0.0 112.506 -173.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 60.3 64.66 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.027 -0.587 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLY . 10.2 pt 33.93 77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.159 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 9.8 t-160 44.46 21.58 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.267 179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.67 39.71 24.41 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.103 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.95 6.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.251 -0.499 . . . . 0.0 112.215 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -146.81 -43.13 0.18 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.274 0.559 . . . . 0.0 109.53 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -45.23 -39.44 6.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.031 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 16' ' ' ILE . 4.9 tp -164.27 77.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 122.214 1.007 . . . . 0.0 108.44 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -168.85 -53.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.702 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.27 -65.36 2.96 Favored Glycine 0 CA--C 1.504 -0.594 0 N-CA-C 107.82 -2.112 . . . . 0.0 107.82 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 22' ' ' ASN . 3.5 mtt 167.94 80.67 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.569 0 CA-C-N 114.032 -1.084 . . . . 0.0 109.689 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 60.25 18.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' MET . 15.8 mt-30 91.88 34.88 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.305 -2.225 . . . . 0.0 105.748 -176.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.8 t30 43.38 52.74 5.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.55 -1.659 . . . . 0.0 109.982 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 52.83 92.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.342 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.5 mt 54.06 -164.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.485 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.76 80.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.953 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 -38.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -168.7 6.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.125 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.37 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.751 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.3 mttp 53.69 25.66 5.22 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 -170.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.77 81.41 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 1 CA-C-N 108.237 -4.074 . . . . 0.0 112.449 -173.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 59.8 57.29 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.67 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.6 pt 35.31 73.96 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.901 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 3.7 m80 48.39 21.31 0.36 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.98 60.93 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.01 71.72 0.72 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.124 -0.56 . . . . 0.0 111.718 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.17 -35.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -41.53 -47.17 3.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mt -84.13 -78.4 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.995 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -170.71 46.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.977 0.417 . . . . 0.0 110.584 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.46 -40.8 2.18 Favored Glycine 0 C--N 1.332 0.36 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' ASN . 22.7 ttm 148.02 88.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.853 -1.173 . . . . 0.0 109.586 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.6 mt 60.55 24.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 N-CA-C 104.866 -2.272 . . . . 0.0 104.866 -175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 82.93 34.14 0.06 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.835 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 19' ' ' MET . 29.0 t-20 45.08 62.94 1.92 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.023 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 49.91 -91.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.507 -1.679 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.2 t60 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 74.6 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.846 0.355 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.6 mp -72.67 -175.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.164 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.4 0.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.129 -0.557 . . . . 0.0 111.948 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.58 -168.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.32 66.71 1.81 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.08 -141.16 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.758 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 53.74 25.1 4.81 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 102.571 -3.122 . . . . 0.0 102.571 -170.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.92 79.11 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.197 -4.092 . . . . 0.0 111.962 -173.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.82 72.89 0.48 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.881 -0.66 . . . . 0.0 109.398 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.84 -69.67 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 O-C-N 123.913 0.758 . . . . 0.0 109.481 -179.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 10' ' ' ILE . 49.9 t-80 -157.5 4.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.0 43.54 2.4 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.675 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.74 70.42 0.78 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.225 -0.512 . . . . 0.0 111.834 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' C ' ' N ' ' A' ' 16' ' ' ILE . 15.4 tpt85 -161.34 -17.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -17.43 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.018 0.437 . . . . 0.0 110.176 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.9 mt -146.56 -74.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.58 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 33.9 m80 -163.55 56.4 0.17 Allowed 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 64.06 58.7 10.0 Favored Glycine 0 CA--C 1.493 -1.292 0 N-CA-C 109.927 -1.269 . . . . 0.0 109.927 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 76.2 mtp 42.14 16.43 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.511 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 58.04 -7.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 -174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.8 tt0 -112.85 -40.05 4.1 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.04 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' GLY . 19.2 t-20 -82.67 -29.05 30.22 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 93.4 m-70 54.27 -174.53 0.04 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.195 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.531 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.9 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.92 14.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.79 -18.54 66.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.55 -22.86 50.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.4 mm? -89.5 -6.79 56.11 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.255 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.9 pt -157.36 -157.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' HIS . 90.8 mttt 54.0 25.08 5.14 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.608 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 44.2 57.82 4.73 Favored Glycine 0 N--CA 1.421 -2.331 1 CA-C-N 108.08 -4.145 . . . . 0.0 112.391 -173.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 61.84 8.98 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.261 -0.469 . . . . 0.0 111.438 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -166.11 -90.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 120.913 0.387 . . . . 0.0 110.173 179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' LYS . 2.2 t60 -145.67 23.14 1.43 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.315 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 40.14 10.28 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.048 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.02 0.63 52.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.2 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.11 -15.87 63.04 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.47 -37.2 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.204 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 20' ' ' ILE . 55.9 mt -63.59 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.107 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 23' ' ' HIS . 60.4 t-80 -150.29 13.93 0.77 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.327 0.584 . . . . 0.0 109.516 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 153.64 -56.9 0.42 Allowed Glycine 0 C--O 1.226 -0.36 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.886 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.3 ttp 162.31 20.81 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.643 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 20' ' ' ILE . 34.2 mm 59.79 -6.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 -173.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.886 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 tp-100 -111.33 -40.73 4.32 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.904 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 22' ' ' ASN . 1.1 m-80 -88.4 -23.07 23.44 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' ND1' ' ND1' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -48.07 -63.75 0.98 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 179.326 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.588 179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.54 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.7 mp -68.21 168.9 11.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.165 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.32 66.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.68 -66.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 110.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.21 -62.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.05 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.954 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt 53.2 25.87 4.64 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 102.364 -3.199 . . . . 0.0 102.364 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 86.74 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.222 -4.081 . . . . 0.0 112.359 -173.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.26 47.65 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.064 -0.568 . . . . 0.0 110.53 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.83 -39.79 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 9' ' ' ALA . 52.0 t-80 -175.98 -6.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 129.91 20.68 1.3 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.99 73.94 0.47 Allowed Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 tpt85 -163.42 -28.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.577 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -47.19 -50.11 21.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 0.0 110.483 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm -85.73 -77.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.874 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.439 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 84.8 m-70 -156.95 10.81 0.22 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.91 0.386 . . . . 0.0 110.433 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.05 49.58 76.96 Favored Glycine 0 CA--C 1.501 -0.812 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.701 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 7.4 ptt? -172.48 -31.77 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 114.559 -0.82 . . . . 0.0 109.238 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.21 -8.74 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 102.064 -3.309 . . . . 0.0 102.064 170.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' N ' ' C ' ' A' ' 19' ' ' MET . 9.7 tp-100 -128.54 -25.34 2.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 112.273 -2.239 . . . . 0.0 110.194 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.701 ' H ' ' CA ' ' A' ' 19' ' ' MET . 7.7 t-20 -101.6 0.62 36.65 Favored 'General case' 0 C--N 1.382 2.021 0 CA-C-N 120.637 1.562 . . . . 0.0 110.486 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.1 t60 52.22 101.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.548 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.61 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.797 0.332 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.77 145.34 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.3 -42.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.039 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.16 -28.76 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 110.644 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.6 mp -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.295 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mm -121.48 -141.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? 53.17 25.83 4.57 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 -170.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.26 94.53 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.063 1 CA-C-N 108.277 -4.056 . . . . 0.0 112.169 -173.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.22 47.49 2.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.409 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.05 -97.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 O-C-N 123.971 0.795 . . . . 0.0 110.648 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' GLY . 2.1 p80 -54.81 -4.64 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.162 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.47 -1.98 9.38 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.79 -1.195 . . . . 0.0 110.359 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.16 -15.9 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ILE . 18.6 tpt180 -85.45 -20.87 29.1 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -41.26 -25.37 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.2 mt -137.62 -76.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -166.02 69.78 0.13 Allowed 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.24 54.09 35.1 Favored Glycine 0 C--O 1.213 -1.207 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.889 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 39.64 21.98 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.12 -10.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.12 -1.808 . . . . 0.0 106.12 -176.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.889 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.8 tt0 -101.72 -51.12 3.51 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.652 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.591 ' N ' ' O ' ' A' ' 18' ' ' GLY . 18.8 m-20 -73.49 -25.72 60.57 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 18' ' ' GLY . 23.0 t-80 58.16 -78.47 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.897 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' ASN . 7.7 p-80 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.829 0.347 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.74 162.1 29.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.61 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.82 -47.51 58.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.03 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.65 174.88 12.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.619 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -77.78 64.21 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.517 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.1 pt -77.55 -150.6 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.519 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 55.21 25.35 7.19 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 102.267 -3.234 . . . . 0.0 102.267 -170.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 71.19 0.14 Allowed Glycine 0 N--CA 1.423 -2.197 1 CA-C-N 108.197 -4.092 . . . . 0.0 112.165 -174.089 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.8 73.42 0.12 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.3 -120.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 123.91 0.756 . . . . 0.0 110.585 -178.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 1.9 t60 -80.84 38.39 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.073 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 63.81 35.96 92.69 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.5 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.98 61.55 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.81 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 -26.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -47.92 -44.66 30.11 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.908 0.385 . . . . 0.0 110.0 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 15.4 mt -88.48 -83.78 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.622 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 14.9 m-70 -169.74 65.98 0.05 Allowed 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.22 52.71 51.7 Favored Glycine 0 C--O 1.21 -1.365 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.859 ' C ' ' H ' ' A' ' 21' ' ' GLN . 67.9 mtm 44.03 17.07 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.81 -9.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -175.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.859 ' H ' ' C ' ' A' ' 19' ' ' MET . 25.2 mt-30 -105.35 -45.37 4.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.078 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.4 m-20 -78.3 -29.1 47.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 177.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 39.1 p-80 41.31 24.09 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.425 179.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 22' ' ' ASN . 1.5 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.544 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 CA--C 1.526 0.033 0 CA-C-O 120.792 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.572 ' N ' HD12 ' A' ' 2' ' ' LEU . 8.0 mp -71.5 128.65 36.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.92 -10.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.36 55.19 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.3 mp 53.62 16.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.227 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 ' C ' ' N ' ' A' ' 8' ' ' GLY . 48.1 pt 37.8 -145.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt 53.74 25.89 5.48 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 102.342 -3.207 . . . . 0.0 102.342 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.579 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.03 87.46 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.331 -4.031 . . . . 0.0 112.195 -173.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.98 45.18 24.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.169 -0.515 . . . . 0.0 110.292 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 74.63 -37.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.816 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.439 ' H ' ' C ' ' A' ' 9' ' ' ALA . 41.9 t60 -171.8 -15.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.995 0.426 . . . . 0.0 110.093 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.0 19.36 0.14 Allowed Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.42 62.21 5.04 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -47.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -76.07 123.12 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.0 pt 39.06 43.75 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.295 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -136.88 -35.43 0.71 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -44.03 -30.86 1.88 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.8 mtp 152.03 14.34 0.0 OUTLIER 'General case' 0 CA--C 1.485 -1.525 0 CA-C-N 113.567 -1.317 . . . . 0.0 108.24 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.7 mp 61.26 -7.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.671 0 N-CA-C 104.886 -2.264 . . . . 0.0 104.886 -174.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.1 tt0 -115.31 -27.76 7.13 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 114.119 -1.4 . . . . 0.0 110.674 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -107.27 -18.99 13.73 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 0.7 OUTLIER -45.08 156.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.939 179.725 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.506 179.839 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 34.0 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.767 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.9 mt -71.0 -4.24 23.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.464 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.81 -52.64 3.61 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.942 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.98 168.31 10.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.748 0.309 . . . . 0.0 110.531 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.8 mp -74.07 94.6 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.163 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 21.3 pt -149.37 -147.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.68 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.1 tttm 54.95 25.85 7.28 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 102.125 -3.287 . . . . 0.0 102.125 -170.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 87.42 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.151 1 CA-C-N 108.269 -4.06 . . . . 0.0 112.374 -173.924 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.71 46.85 1.65 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.564 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.06 -95.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 O-C-N 124.008 0.818 . . . . 0.0 110.56 -179.041 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -52.38 -7.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.987 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -70.53 3.19 12.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.216 -0.992 . . . . 0.0 111.105 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -168.12 -24.72 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -72.67 -54.04 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.34 95.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.6 pt 34.62 56.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.961 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 59.5 m-70 -161.67 -14.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.637 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -140.6 50.02 0.77 Allowed Glycine 0 C--N 1.33 0.248 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.811 ' N ' ' H ' ' A' ' 22' ' ' ASN . 44.4 ttp -179.5 -55.05 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.081 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -66.05 -10.06 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 172.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.558 ' H ' ' H ' ' A' ' 19' ' ' MET . 81.8 mt-30 -123.53 -22.57 4.98 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.98 -2.373 . . . . 0.0 108.879 177.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.811 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.4 OUTLIER -112.83 16.61 19.46 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-N 119.632 1.105 . . . . 0.0 111.54 179.594 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' MET . 76.6 t60 39.35 22.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.902 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 22' ' ' ASN . 69.6 m80 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' GLY . 47.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.792 0.33 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.3 mt 59.63 -77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.749 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' PHE . . . 69.71 34.98 73.11 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.846 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.7 136.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.547 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.8 mm? -75.39 87.22 2.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.022 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.712 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.4 tp -154.34 -147.96 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.296 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.712 ' N ' HG23 ' A' ' 6' ' ' ILE . 63.1 tttm 55.23 25.83 7.78 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 102.13 -3.285 . . . . 0.0 102.13 -170.322 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.543 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.08 73.52 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.073 1 CA-C-N 108.328 -4.033 . . . . 0.0 112.41 -174.082 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 53.6 33.68 16.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.163 -0.518 . . . . 0.0 110.721 179.787 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.82 -38.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.093 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 9' ' ' ALA . 57.4 t-80 -166.55 -12.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.444 179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 141.71 17.63 0.34 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.32 72.18 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.76 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -165.89 -56.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -63.09 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.7 pt 35.89 55.81 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.283 0.563 . . . . 0.0 110.509 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -143.01 -28.6 0.56 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.341 -179.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.81 -51.86 37.31 Favored Glycine 0 CA--C 1.5 -0.87 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 178.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.817 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.2 ttm -178.7 14.62 0.0 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 CA-C-N 112.956 -1.622 . . . . 0.0 107.97 179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.573 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 61.33 -5.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 -173.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.817 ' H ' ' C ' ' A' ' 19' ' ' MET . 35.9 mt-30 -140.72 1.28 1.7 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.194 -1.366 . . . . 0.0 112.024 -179.736 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -120.06 -29.28 4.95 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.323 0.51 . . . . 0.0 110.118 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 52.74 -96.69 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 82.2 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.363 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 mt -74.06 -72.16 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.471 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.66 45.19 47.95 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.04 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.03 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.741 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.36 -62.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 51.26 -141.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 -179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.1 mttm 53.32 25.66 4.67 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.432 -3.173 . . . . 0.0 102.432 -170.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.64 95.97 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.273 -4.058 . . . . 0.0 112.223 -173.652 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.25 41.89 3.24 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.246 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.16 -95.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 O-C-N 124.023 0.827 . . . . 0.0 110.446 -179.066 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 13' ' ' GLY . 15.2 p80 -53.08 -7.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.835 179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -58.64 -7.92 4.91 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 119.742 -1.218 . . . . 0.0 110.324 179.247 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.07 -24.87 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -68.21 -28.24 67.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -41.09 -45.0 2.62 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.24 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 mt -81.83 -78.67 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.532 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -161.82 58.63 0.26 Allowed 'General case' 0 N--CA 1.461 0.093 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.429 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 69.77 62.73 3.67 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.867 ' C ' ' H ' ' A' ' 21' ' ' GLN . 23.1 ttm 38.4 19.63 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.664 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 57.34 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -175.28 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.867 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.4 tt0 -119.5 -34.58 3.76 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.784 -179.433 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' GLY . 4.3 m120 -82.26 -31.32 30.19 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 177.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.484 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 84.6 m-70 54.1 173.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.375 179.441 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.546 -179.917 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' LEU . 53.1 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.737 0.303 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' PHE . 0.3 OUTLIER -50.35 -178.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.577 -179.858 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.61 24.0 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -160.33 -7.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 mt 54.07 19.5 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.687 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.82 -141.39 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.639 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 53.17 25.78 4.53 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.429 -3.175 . . . . 0.0 102.429 -170.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.66 97.16 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.137 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.278 -173.794 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.13 43.75 2.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.133 -0.533 . . . . 0.0 110.279 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.29 -95.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 124.03 0.831 . . . . 0.0 110.481 -179.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' C ' ' H ' ' A' ' 13' ' ' GLY . 42.5 p-80 -53.94 -6.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.013 179.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -61.29 -5.6 6.42 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 119.854 -1.165 . . . . 0.0 110.366 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -169.54 -23.2 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -67.56 -33.3 74.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -40.15 -40.85 1.17 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.96 -77.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -169.39 64.69 0.05 Allowed 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.18 55.85 23.77 Favored Glycine 0 CA--C 1.491 -1.418 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -178.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.841 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.2 ttt 43.26 16.29 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.6 mp 58.46 -8.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 -175.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.841 ' H ' ' C ' ' A' ' 19' ' ' MET . 21.2 mm100 -111.62 -37.51 5.17 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.964 179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 88.4 m-20 -83.51 -31.01 26.68 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.372 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 56.7 p-80 42.17 -156.03 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.999 179.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.3 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.499 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.823 0.344 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.8 mt 52.76 -143.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.4 53.51 6.01 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.174 -0.536 . . . . 0.0 111.811 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -164.5 26.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.6 tp -166.25 -53.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.609 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.6 pt -89.63 -148.28 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.716 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.8 mttm 53.96 25.97 5.9 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 102.196 -3.261 . . . . 0.0 102.196 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.83 86.46 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.177 1 CA-C-N 108.324 -4.034 . . . . 0.0 112.012 -173.825 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.59 43.0 29.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.13 -0.535 . . . . 0.0 110.206 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 75.8 -41.38 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.773 -179.75 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 24.0 m80 -164.36 -17.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.15 25.55 0.13 Allowed Glycine 0 C--N 1.334 0.461 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.74 67.1 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -161.45 -58.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.766 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -52.27 86.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.304 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 14' ' ' ARG . 3.0 tt 35.77 66.74 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-O 121.836 0.827 . . . . 0.0 111.177 -179.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -167.31 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.643 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.27 56.77 0.36 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.793 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 28.3 ttt -179.35 -57.45 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -64.31 -10.4 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 172.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 -123.25 -22.98 4.98 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 111.933 -2.394 . . . . 0.0 108.885 177.183 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.793 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -113.08 16.87 19.15 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-N 119.613 1.097 . . . . 0.0 111.687 179.788 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' MET . 40.6 m80 38.75 22.86 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' ASN . 53.6 t-80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.352 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt 57.22 160.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.62 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.33 2.27 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.82 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.81 76.24 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -163.17 -24.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.089 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.596 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 pp -142.33 -157.31 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.704 179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' H ' ' HB ' ' A' ' 6' ' ' ILE . 4.6 mptp? 56.51 25.78 10.17 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 101.457 -3.534 . . . . 0.0 101.457 -170.018 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.596 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 90.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.157 0 CA-C-N 108.449 -3.978 . . . . 0.0 112.341 -174.275 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.45 44.7 0.76 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.153 -0.524 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 pt 37.13 -94.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.883 0.739 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ALA . 4.4 p-80 -53.51 -7.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -63.71 -3.14 7.14 Favored Glycine 0 C--N 1.334 0.454 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 179.28 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -164.93 -31.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -63.24 -40.58 97.83 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -39.79 -49.56 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.518 179.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.77 -76.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.115 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -168.81 65.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.579 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 68.43 58.35 7.26 Favored Glycine 0 CA--C 1.495 -1.175 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.3 ttt 42.63 14.41 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 179.27 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.4 mm 59.55 -8.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -174.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -114.04 -36.53 4.73 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.178 -179.79 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' GLY . 26.9 t30 -84.74 -29.12 25.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 177.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' NE2' ' O ' ' A' ' 20' ' ' ILE . 92.6 m-70 54.55 171.19 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.317 179.749 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.521 179.948 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 4' ' ' ALA . 12.0 mt -74.78 177.78 5.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.602 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.69 11.59 4.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.058 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -161.89 92.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.495 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.4 mp -70.74 81.76 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.067 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -150.33 -160.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.913 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.362 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' HIS . 61.9 mttt 54.12 25.23 5.44 Favored 'General case' 0 C--N 1.345 0.377 0 N-CA-C 101.876 -3.379 . . . . 0.0 101.876 -170.182 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.1 57.5 5.49 Favored Glycine 0 N--CA 1.422 -2.267 1 CA-C-N 108.022 -4.172 . . . . 0.0 112.572 -173.83 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 62.55 7.87 2.63 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.271 -0.465 . . . . 0.0 111.478 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.29 -89.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.721 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 54.2 t-80 -150.27 24.96 0.81 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.183 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 81.79 47.67 6.17 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.49 2.61 2.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.206 -0.521 . . . . 0.0 111.845 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -69.62 -14.49 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.9 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -57.29 -51.17 70.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.788 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mt -74.12 -79.32 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 45.0 m80 -159.58 73.48 0.57 Allowed 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.12 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 59.47 34.18 79.89 Favored Glycine 0 C--O 1.202 -1.89 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.953 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.86 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.3 ttt 72.66 2.9 4.52 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 119.683 -0.807 . . . . 0.0 111.155 -179.511 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.8 mp 59.68 -9.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 106.003 -1.851 . . . . 0.0 106.003 -175.367 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.86 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tt0 -114.66 -3.22 12.89 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 114.739 -1.118 . . . . 0.0 109.573 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.2 t30 -126.95 -32.78 2.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 105.975 -1.861 . . . . 0.0 105.975 178.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 20' ' ' ILE . 33.1 m80 51.15 13.04 0.14 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' ' C ' ' A' ' 22' ' ' ASN . 75.0 t60 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.509 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.699 0.285 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.5 -45.67 58.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.44 -7.87 4.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.131 -0.556 . . . . 0.0 111.987 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -55.99 -174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.55 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.29 15.77 0.41 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.468 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.4 mm 49.01 -145.44 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.623 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.195 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tptm 53.67 25.5 5.05 Favored 'General case' 0 C--N 1.345 0.398 0 N-CA-C 102.36 -3.2 . . . . 0.0 102.36 -170.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.89 82.55 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.114 -173.791 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.94 72.18 0.49 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.4 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.54 -71.64 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.1 m80 -156.27 7.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.44 42.81 3.1 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.476 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.84 20.95 57.93 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 -179.68 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -83.22 -19.16 36.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.945 0.403 . . . . 0.0 110.103 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -71.85 -32.99 68.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.472 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.7 mp -70.34 -80.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 16' ' ' ILE . 36.9 m80 -145.24 -10.26 0.56 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.55 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.62 -62.66 0.23 Allowed Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.811 ' C ' ' H ' ' A' ' 21' ' ' GLN . 14.7 ttt -170.47 27.37 0.02 OUTLIER 'General case' 0 CA--C 1.476 -1.9 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 59.5 -4.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 -174.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.811 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.8 tp60 -132.67 -27.27 1.72 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.895 -179.166 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -89.05 -31.61 17.97 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.014 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 31.7 t-80 47.66 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.695 179.497 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.601 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 30.5 m80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.525 -179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.78 -167.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.533 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.82 -70.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.026 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -74.24 -172.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.839 0.352 . . . . 0.0 110.677 -179.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.3 mp -77.86 35.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.9 mt 49.46 -143.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 -179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt 53.16 25.54 4.34 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 102.477 -3.157 . . . . 0.0 102.477 -170.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.599 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.31 68.42 0.18 Allowed Glycine 0 N--CA 1.424 -2.158 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.463 -173.841 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.49 70.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.079 -0.561 . . . . 0.0 110.369 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.6 pt 32.89 -100.24 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.171 179.674 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 13' ' ' GLY . 23.5 p80 -39.73 -18.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -49.73 -14.01 0.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.431 -0.89 . . . . 0.0 110.895 178.674 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -150.34 -48.81 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.81 -52.02 3.06 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 122.852 -0.205 . . . . 0.0 111.159 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 11.4 t80 -50.71 -53.44 31.33 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.781 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 16' ' ' ILE . 18.2 pt -109.74 43.55 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 120.795 0.331 . . . . 0.0 111.388 -179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' GLY . 81.9 t60 -138.39 -32.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.39 -27.56 2.91 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 178.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.847 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.7 mtt 145.29 14.58 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 113.685 -1.257 . . . . 0.0 108.502 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp 60.25 -5.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -173.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.847 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.6 tt0 -124.13 -24.09 4.43 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 114.259 -1.337 . . . . 0.0 111.62 -179.512 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -99.86 -34.57 10.08 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.539 ' HE2' ' C ' ' A' ' 20' ' ' ILE . 16.6 m-70 46.13 -95.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.633 179.944 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 18.8 p90 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.829 0.347 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' ALA . 11.3 tp -71.67 134.62 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.13 29.51 1.38 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.89 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -165.97 -138.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.635 0.255 . . . . 0.0 110.4 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -161.21 23.13 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.699 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.716 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.1 tt -71.83 -152.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.742 179.647 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' N ' HG23 ' A' ' 6' ' ' ILE . 14.6 tptm 55.03 25.76 7.33 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 102.082 -3.303 . . . . 0.0 102.082 -170.476 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.546 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.6 69.06 0.17 Allowed Glycine 0 N--CA 1.424 -2.127 1 CA-C-N 108.392 -4.004 . . . . 0.0 111.969 -173.673 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 74.28 71.66 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.853 -0.674 . . . . 0.0 109.281 -179.127 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt 38.15 -119.68 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.573 -178.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -83.96 37.5 0.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.87 41.59 95.43 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.9 54.12 39.96 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 16' ' ' ILE . 13.3 tpp85 -147.55 -17.88 0.38 Allowed 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -43.38 -21.72 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.0 110.326 179.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt -144.17 -73.38 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.5 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 42.7 m-70 -167.58 63.95 0.08 Allowed 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.131 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.27 54.36 36.99 Favored Glycine 0 CA--C 1.493 -1.313 0 N-CA-C 109.941 -1.263 . . . . 0.0 109.941 -178.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.882 ' C ' ' H ' ' A' ' 21' ' ' GLN . 91.2 mtp 43.94 15.67 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.41 -8.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -174.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.882 ' H ' ' C ' ' A' ' 19' ' ' MET . 49.6 tp60 -106.55 -43.24 4.79 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.445 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.575 ' N ' ' O ' ' A' ' 18' ' ' GLY . 11.9 m-20 -82.07 -31.29 30.9 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.72 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 47.3 t-80 53.02 9.31 0.12 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.857 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.594 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -171.52 176.83 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.308 179.767 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.24 26.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.114 -179.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.26 9.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt 54.7 100.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' C ' ' N ' ' A' ' 8' ' ' GLY . 23.7 pt -147.64 -147.06 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 53.79 26.17 5.81 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 102.234 -3.246 . . . . 0.0 102.234 -170.273 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.87 74.37 0.06 OUTLIER Glycine 0 N--CA 1.426 -1.989 0 CA-C-N 108.488 -3.96 . . . . 0.0 111.794 -173.558 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 65.19 73.12 0.42 Allowed 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -178.655 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CD1' ' ND1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER 40.32 -90.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.182 -178.659 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . 12.9 t-160 -128.97 42.08 3.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.428 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.38 28.44 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.99 22.05 78.9 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.554 HH12 ' ND2' ' A' ' 22' ' ' ASN . 24.1 mmt180 -102.86 -34.73 8.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.359 0.123 . . . . 0.0 110.678 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 90.1 t80 -57.09 88.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.143 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 14' ' ' ARG . 19.4 pt 37.53 62.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.758 -178.178 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 19.3 m80 -150.01 -29.75 0.23 Allowed 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -45.9 -33.92 5.33 Favored Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.827 ' C ' ' H ' ' A' ' 21' ' ' GLN . 3.2 mtt 152.27 13.99 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 113.817 -1.192 . . . . 0.0 108.319 -179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm 63.2 -9.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -173.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.827 ' H ' ' C ' ' A' ' 19' ' ' MET . 52.5 tt0 -111.03 -34.05 6.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.169 179.747 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.554 ' ND2' HH12 ' A' ' 14' ' ' ARG . 27.3 t30 -102.6 -13.72 17.03 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.115 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' ND1' ' N ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -42.67 -23.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.953 179.327 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.436 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 1.2 t-80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.412 -179.897 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.9 mt -69.86 -151.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -170.35 -1.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -164.15 -161.0 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 77.16 -50.45 0.55 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.163 179.945 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.714 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.4 tp -133.17 -149.12 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.714 ' N ' HG23 ' A' ' 6' ' ' ILE . 19.5 tptm 55.07 25.82 7.47 Favored 'General case' 0 C--N 1.343 0.323 0 N-CA-C 102.148 -3.279 . . . . 0.0 102.148 -170.216 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.02 86.5 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.057 0 CA-C-N 108.407 -3.997 . . . . 0.0 112.14 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 46.21 68.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.2 -0.5 . . . . 0.0 110.009 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.607 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.83 -71.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.747 -179.16 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.607 ' N ' HG22 ' A' ' 10' ' ' ILE . 29.0 t-80 -136.66 -8.65 1.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.062 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 103.29 -34.01 6.11 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.321 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.42 67.46 0.1 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.719 -179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -159.35 -27.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -42.01 -32.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 38.6 mm -115.38 -79.69 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.366 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 38.9 m-70 -164.63 27.79 0.07 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.172 0.511 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.83 -52.16 0.72 Allowed Glycine 0 CA--C 1.505 -0.549 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 -178.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.573 ' N ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 173.29 84.21 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.132 -1.034 . . . . 0.0 108.516 177.669 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 61.58 18.73 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.134 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.7 tt0 94.36 32.6 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 112.418 -2.174 . . . . 0.0 105.914 -176.647 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.573 ' H ' ' N ' ' A' ' 19' ' ' MET . 23.1 t-20 45.43 50.26 10.2 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.735 -178.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 82.0 t60 56.69 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.595 -179.898 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 55.6 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.605 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.8 mp -69.13 -28.9 66.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.082 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.33 5.43 6.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.026 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -94.47 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 7' ' ' LYS . 14.7 mt -75.55 -48.71 21.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.51 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.884 ' C ' ' H ' ' A' ' 8' ' ' GLY . 5.2 tt 39.85 27.98 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 111.569 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' LEU . 98.1 mttt -84.12 28.37 0.62 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 101.054 -3.684 . . . . 0.0 101.054 168.192 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.884 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 55.76 73.76 0.39 Allowed Glycine 0 N--CA 1.414 -2.776 0 CA-C-N 108.985 -3.734 . . . . 0.0 111.647 -176.189 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.31 55.12 4.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.118 -179.588 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER 77.24 -48.66 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.35 -179.544 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 23.5 m-70 -165.77 -14.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.588 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.15 40.4 0.48 Allowed Glycine 0 C--N 1.335 0.5 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.565 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.66 76.19 0.3 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.354 -0.699 . . . . 0.0 111.354 -179.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -148.41 -52.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.58 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' GLN . 11.1 t80 -68.58 -76.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.834 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -81.89 50.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -135.29 -69.05 0.51 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.533 -179.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.25 -62.1 6.22 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.524 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtp 172.54 84.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.013 -1.093 . . . . 0.0 110.002 176.012 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.0 mt 59.58 18.05 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 -177.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 98.69 31.91 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 112.412 -2.176 . . . . 0.0 106.03 -176.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' N ' ' A' ' 19' ' ' MET . 18.8 p30 44.07 43.27 5.45 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.18 -1.373 . . . . 0.0 109.529 -177.744 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 68.6 m-70 -162.04 78.87 0.53 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 113.802 -1.544 . . . . 0.0 110.266 -179.878 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.561 -179.97 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 t80 . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.819 0.343 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? -68.75 -61.54 1.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.095 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.71 -35.1 2.7 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.043 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.73 169.49 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.701 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -78.43 50.61 0.96 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.2 mm 45.2 -145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.663 -179.876 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt 53.33 25.52 4.58 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 77.78 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.041 1 CA-C-N 108.322 -4.036 . . . . 0.0 112.068 -173.868 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.48 72.53 0.47 Allowed 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 114.905 -0.648 . . . . 0.0 109.541 -179.417 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 11' ' ' HIS . 3.6 mt 66.8 -69.34 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 O-C-N 123.853 0.721 . . . . 0.0 109.479 -179.073 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 10' ' ' ILE . 33.9 m80 -158.79 6.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.51 8.9 4.22 Favored Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.583 -179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.6 46.35 40.13 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.207 -0.52 . . . . 0.0 111.861 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' CG ' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -139.41 -37.0 0.51 Allowed 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.539 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -64.83 98.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.258 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 pt 37.0 52.37 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.802 -178.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -140.82 -27.77 0.71 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.08 -48.18 39.62 Favored Glycine 0 CA--C 1.5 -0.851 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 178.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.833 ' C ' ' H ' ' A' ' 21' ' ' GLN . 24.3 tpp -175.44 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.478 -1.819 0 CA-C-N 112.941 -1.63 . . . . 0.0 107.553 179.665 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.7 mm 63.5 -5.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 N-CA-C 104.388 -2.449 . . . . 0.0 104.388 -173.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.833 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.1 tp-100 -137.11 -11.8 1.68 Allowed 'General case' 0 C--N 1.359 1.0 0 CA-C-N 113.951 -1.477 . . . . 0.0 111.701 -179.391 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -105.11 -33.75 8.18 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.265 0.484 . . . . 0.0 110.166 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.9 m170 43.61 49.42 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.348 179.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.529 -179.962 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.5 p90 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.12 -172.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.375 179.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.48 21.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.897 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.81 -64.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.506 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.37 48.58 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.0 pt -75.02 -147.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.526 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt 55.3 25.53 7.58 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 102.105 -3.294 . . . . 0.0 102.105 -170.478 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.05 89.16 0.01 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.19 -4.096 . . . . 0.0 112.668 -174.17 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.26 46.79 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.073 -0.564 . . . . 0.0 111.03 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -41.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.049 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 9' ' ' ALA . 12.2 t-80 -173.13 -6.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.56 24.47 0.75 Allowed Glycine 0 C--N 1.333 0.404 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.45 75.26 0.26 Allowed Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -168.42 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.668 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -55.0 -38.15 67.49 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -159.66 79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -168.99 -51.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.471 -1.241 . . . . 0.0 108.982 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.35 -62.85 5.21 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 108.249 -1.941 . . . . 0.0 108.249 177.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtt 163.99 78.07 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 113.779 -1.21 . . . . 0.0 109.063 176.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 20' ' ' ILE . 4.4 mm 63.47 15.95 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 -176.595 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.459 ' N ' ' C ' ' A' ' 19' ' ' MET . 24.0 mt-30 90.9 35.06 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -175.747 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 28.4 t30 43.69 59.72 2.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.248 -177.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' ND1' ' N ' ' A' ' 23' ' ' HIS . 2.1 m-70 56.38 178.14 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.567 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.592 179.958 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 65.5 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.809 0.338 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -166.8 74.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.883 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.42 90.23 0.73 Allowed Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.025 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.53 -66.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? -71.53 -36.36 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.97 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.582 ' C ' ' N ' ' A' ' 8' ' ' GLY . 19.7 pt -98.7 -148.38 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.737 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.8 mttm 53.89 25.99 5.81 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.221 -3.251 . . . . 0.0 102.221 -170.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 78.29 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.257 1 CA-C-N 108.306 -4.043 . . . . 0.0 112.309 -174.032 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.17 67.68 0.89 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.045 -0.578 . . . . 0.0 110.35 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.546 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 66.26 -68.42 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 123.559 0.537 . . . . 0.0 109.686 -179.663 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.546 ' N ' HG22 ' A' ' 10' ' ' ILE . 58.7 t-80 -148.58 -0.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.076 0.465 . . . . 0.0 109.773 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.14 13.8 1.89 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.723 179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 70.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.846 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -170.0 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -53.8 -39.76 65.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.265 0.555 . . . . 0.0 109.784 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 pt -144.87 56.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -147.94 -22.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.445 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.8 -55.14 22.04 Favored Glycine 0 CA--C 1.497 -1.066 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 177.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.816 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.1 ttt -177.45 16.84 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 112.707 -1.747 . . . . 0.0 108.438 178.748 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.582 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 60.21 -4.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 -173.057 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.816 ' H ' ' C ' ' A' ' 19' ' ' MET . 15.8 tt0 -137.45 -13.91 1.51 Allowed 'General case' 0 C--N 1.358 0.947 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.584 -179.654 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -102.54 -23.71 13.86 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.157 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 7.2 p80 -33.76 97.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.644 179.384 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.4 t60 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.562 -179.802 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.339 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.82 -21.04 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.248 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.84 90.16 Favored Glycine 0 C--N 1.331 0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.066 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.22 161.4 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.1 mm? 53.98 14.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.1 pt -78.87 -152.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 CA-C-O 119.454 -0.308 . . . . 0.0 110.327 179.71 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 53.9 25.78 5.63 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 102.177 -3.268 . . . . 0.0 102.177 -170.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.45 90.13 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.301 1 CA-C-N 108.285 -4.052 . . . . 0.0 112.15 -173.821 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.57 38.53 22.63 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.292 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.73 -96.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 124.155 0.909 . . . . 0.0 110.258 -178.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' A' ' 13' ' ' GLY . 58.6 m-70 -51.19 -7.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -62.7 -3.25 5.48 Favored Glycine 0 C--N 1.338 0.669 0 C-N-CA 119.678 -1.249 . . . . 0.0 110.51 179.226 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.18 -13.41 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.6 mpt_? -92.49 -16.33 25.93 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.795 -0.238 . . . . 0.0 110.755 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.7 t80 -45.34 -53.67 8.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.1 pt -157.21 53.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.099 0.476 . . . . 0.0 110.777 179.613 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' H ' ' H ' ' A' ' 18' ' ' GLY . 21.3 t-80 -165.56 -4.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.467 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -146.2 43.79 0.88 Allowed Glycine 0 N--CA 1.454 -0.166 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.187 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.799 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.42 -57.02 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -178.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.3 mp -66.52 -8.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 172.58 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' H ' ' H ' ' A' ' 19' ' ' MET . 37.1 tt0 -122.09 -24.28 5.17 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 111.982 -2.372 . . . . 0.0 108.467 177.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.799 ' H ' ' N ' ' A' ' 19' ' ' MET . 8.7 t-20 -114.72 21.91 14.01 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.318 -0.953 . . . . 0.0 111.586 179.586 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 19' ' ' MET . 78.6 t60 53.18 171.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.674 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.516 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 36.6 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.563 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 60.0 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -164.89 -172.13 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.712 179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.09 -60.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.096 -0.573 . . . . 0.0 111.82 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 -50.51 13.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -163.94 -69.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.107 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.709 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -168.15 -148.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.41 179.762 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' N ' HG23 ' A' ' 6' ' ' ILE . 59.5 tttp 54.92 25.71 7.09 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 102.252 -3.24 . . . . 0.0 102.252 -170.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.67 77.69 0.04 OUTLIER Glycine 0 N--CA 1.424 -2.132 1 CA-C-N 108.257 -4.065 . . . . 0.0 112.483 -174.103 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 47.88 47.07 18.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.774 179.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.9 pt 36.81 67.23 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.579 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 53.29 23.34 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.698 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 54.4 62.3 6.32 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.02 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.27 71.37 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.059 -179.956 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.3 tpt85 -170.12 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -48.28 -46.81 36.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.428 179.711 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.4 mm -90.36 -77.93 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.298 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 68.9 m-70 -162.36 41.57 0.12 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.473 -179.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 86.1 72.95 1.28 Allowed Glycine 0 CA--C 1.49 -1.503 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.674 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.831 ' C ' ' H ' ' A' ' 21' ' ' GLN . 6.6 tpt 39.16 15.34 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 179.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.4 mp 57.49 -5.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -174.132 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.831 ' H ' ' C ' ' A' ' 19' ' ' MET . 90.7 mm-40 -133.83 -22.19 1.87 Allowed 'General case' 0 C--N 1.358 0.951 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.604 -179.012 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 m120 -85.54 -35.65 20.97 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 178.232 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 30.1 t-80 59.61 148.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.612 178.752 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.518 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 52.8 t-80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? -67.41 -14.17 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.02 -10.3 3.3 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.993 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -167.4 -116.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.624 0.25 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -163.2 30.71 0.09 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.054 0.454 . . . . 0.0 110.233 179.882 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' C ' ' N ' ' A' ' 8' ' ' GLY . 15.8 pt -76.4 -151.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.747 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.0 tttm 55.29 25.82 7.87 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 102.108 -3.293 . . . . 0.0 102.108 -170.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.08 71.87 0.11 Allowed Glycine 0 N--CA 1.424 -2.156 1 CA-C-N 108.244 -4.071 . . . . 0.0 112.086 -173.891 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 72.55 72.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.935 -0.633 . . . . 0.0 109.488 -179.266 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 pt 38.48 -115.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.544 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.15 36.39 0.78 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 62.28 46.59 93.61 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.34 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' CA ' HE21 ' A' ' 21' ' ' GLN . . . 57.14 55.62 29.4 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.129 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -145.79 -23.4 0.46 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -47.12 -22.2 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 179.837 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.4 mt -124.91 -83.47 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.85 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 52.4 t-80 -150.24 10.18 0.67 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.848 179.543 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.46 53.78 42.67 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -179.389 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.753 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 33.5 ttp -174.3 -41.05 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -178.415 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -67.56 -10.86 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 171.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.554 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -120.05 -29.36 4.93 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 111.626 -2.533 . . . . 0.0 109.13 177.15 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.753 ' H ' ' CA ' ' A' ' 19' ' ' MET . 1.2 m-20 -107.01 15.91 24.79 Favored 'General case' 0 C--N 1.389 2.297 0 CA-C-N 120.438 1.472 . . . . 0.0 111.346 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 32.3 p80 41.01 -165.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.369 179.625 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -179.975 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.76 0.314 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.93 -156.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.436 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -179.93 -7.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.15 -0.548 . . . . 0.0 111.883 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.445 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -70.27 -170.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.525 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.9 mt -76.69 63.47 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.5 tp -149.68 -147.24 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-O 119.242 -0.408 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 51.2 mtpt 54.12 25.87 6.04 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 102.313 -3.217 . . . . 0.0 102.313 -170.259 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.549 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 90.85 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.184 1 CA-C-N 108.361 -4.018 . . . . 0.0 112.518 -174.116 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 38.07 47.41 0.95 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.925 -0.638 . . . . 0.0 111.003 -179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 34.2 -93.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 124.069 0.856 . . . . 0.0 110.658 -179.224 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 21.9 m80 -52.0 -7.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.699 179.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.56 0.46 5.26 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.186 -1.007 . . . . 0.0 110.945 179.416 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -161.42 -24.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -30.21 56.27 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.001 0.429 . . . . 0.0 109.966 179.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -41.55 -60.79 1.21 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.4 -80.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.382 -179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CG ' ' OE1' ' A' ' 21' ' ' GLN . 1.5 t-80 -170.4 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.035 0.445 . . . . 0.0 110.265 179.762 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.21 -39.91 2.57 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -178.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.535 ' C ' ' H ' ' A' ' 22' ' ' ASN . 6.3 ttt 144.84 88.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 113.681 -1.26 . . . . 0.0 109.603 177.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 61.0 21.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 -176.287 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 7.0 tp-100 88.22 31.45 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.326 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' MET . 13.8 t30 46.0 61.24 2.77 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.457 -1.701 . . . . 0.0 109.7 -177.504 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -56.06 163.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.6 -179.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.947 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 C--O 1.23 0.031 0 CA-C-O 120.812 0.339 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.91 -161.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.5 -26.62 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 -179.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.3 -54.57 42.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.59 -31.33 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.635 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -87.43 -148.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.277 179.927 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' A' ' 10' ' ' ILE . 70.1 mmtt 54.76 22.15 3.98 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 -169.695 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.635 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 45.39 64.39 2.31 Favored Glycine 0 N--CA 1.419 -2.466 1 CA-C-N 107.957 -4.201 . . . . 0.0 112.79 -175.519 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 70.69 75.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG22 ' H ' ' A' ' 11' ' ' HIS . 4.4 mt 66.65 -128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.322 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.519 ' H ' HG22 ' A' ' 10' ' ' ILE . 22.5 m170 -90.13 12.08 18.97 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 176.66 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 67.62 67.49 1.96 Allowed Glycine 0 C--N 1.339 0.709 0 CA-C-N 114.363 -1.289 . . . . 0.0 112.279 -179.402 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.77 -17.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.335 -0.46 . . . . 0.0 112.74 179.225 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.1 -0.4 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 109.926 -179.652 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -56.48 -17.05 7.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.062 179.763 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 HG22 ' CE1' ' A' ' 17' ' ' HIS . 1.7 mt -144.77 -79.52 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.849 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' CE1' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -156.67 23.33 0.33 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 121.45 0.643 . . . . 0.0 109.761 177.713 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.6 -51.71 0.78 Allowed Glycine 0 CA--C 1.505 -0.584 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 -179.604 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.55 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER 170.25 83.39 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.751 -1.225 . . . . 0.0 108.54 177.639 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.9 mt 62.42 18.31 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -176.324 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 11.8 tt0 94.52 31.26 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 112.413 -2.176 . . . . 0.0 105.93 -176.83 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 19' ' ' MET . 9.3 t-20 46.92 51.27 12.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.717 -1.583 . . . . 0.0 109.684 -178.174 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -53.26 124.3 14.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.635 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.965 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.721 0.296 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.2 mp 50.6 49.73 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.17 -179.935 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -9.43 18.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.928 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -64.63 178.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.7 mp -78.17 28.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 45.6 pt 39.51 -143.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.716 179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 54.37 25.67 6.22 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 102.278 -3.23 . . . . 0.0 102.278 -170.46 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.0 99.15 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.211 1 CA-C-N 108.276 -4.056 . . . . 0.0 112.338 -173.886 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.22 49.82 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.089 -0.555 . . . . 0.0 110.536 -179.453 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.75 -96.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.864 0.727 . . . . 0.0 110.615 -179.203 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -47.76 -12.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -82.76 15.2 32.59 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.295 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 14' ' ' ARG . . . -167.4 -11.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 1.1 tmt_? -100.21 -57.88 2.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.801 0.334 . . . . 0.0 110.367 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.75 104.53 0.19 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.656 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 22.1 pt 32.69 56.61 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 121.299 0.571 . . . . 0.0 111.351 -179.606 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -147.61 -30.53 0.32 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.24 -35.47 6.79 Favored Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 178.094 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.884 ' C ' ' H ' ' A' ' 21' ' ' GLN . 2.4 mtt 151.83 17.19 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 113.81 -1.195 . . . . 0.0 108.559 179.94 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.6 mp 60.41 -7.31 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -173.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.884 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.5 tm0? -109.71 -40.24 4.88 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.99 179.606 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -91.17 -24.15 20.03 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.656 ' CG ' ' H ' ' A' ' 16' ' ' ILE . 2.9 t60 -50.0 -41.42 47.09 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.609 178.642 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 21' ' ' GLN . 43.3 m-70 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.827 179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 67.2 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.769 0.319 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 mt -77.09 28.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 1' ' ' PHE . . . 55.25 -93.14 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 111.779 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.79 -140.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.659 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.2 pt? -165.67 47.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.593 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt -140.06 -140.47 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.782 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.748 -179.706 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.2 tptt 54.61 25.67 6.59 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 102.21 -3.255 . . . . 0.0 102.21 -170.394 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 84.56 0.01 OUTLIER Glycine 0 N--CA 1.426 -1.997 1 CA-C-N 108.333 -4.03 . . . . 0.0 112.467 -173.966 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 51.67 69.72 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.129 -0.536 . . . . 0.0 110.01 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.8 OUTLIER 67.29 -67.54 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 123.775 0.672 . . . . 0.0 109.572 -179.288 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 62.3 t-80 -149.53 -2.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.853 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.9 22.98 4.09 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.495 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.02 65.74 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -165.47 -3.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.302 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 16' ' ' ILE . 47.3 t80 -88.39 -36.47 16.55 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.6 pt -157.3 65.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.606 178.733 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -150.46 -25.6 0.24 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.122 -179.397 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.39 -53.09 33.34 Favored Glycine 0 CA--C 1.498 -0.976 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.5 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 15.8 ttt -178.92 17.2 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 113.114 -1.543 . . . . 0.0 108.891 179.435 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.8 mm 62.56 -6.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 51.0 mm-40 -130.11 -18.43 3.32 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 114.145 -1.388 . . . . 0.0 111.229 -179.819 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.446 HD22 ' C ' ' A' ' 21' ' ' GLN . 1.9 m120 -107.33 -14.17 14.94 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.178 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 23' ' ' HIS . 6.7 p-80 -39.31 105.72 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.289 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.604 -179.873 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 1' ' ' PHE . 14.9 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.78 0.324 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.6 mt 56.43 95.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.466 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.63 61.94 3.2 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.273 -0.489 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.46 48.58 18.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 110.519 -179.988 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.1 mp -70.51 -36.49 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.107 179.932 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.6 mt -86.8 -145.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.775 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.278 179.729 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' NZ ' ' O ' ' A' ' 10' ' ' ILE . 7.0 mtpm? 52.99 25.77 4.27 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 102.454 -3.165 . . . . 0.0 102.454 -170.527 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.46 82.91 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.155 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.068 -173.591 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.26 62.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.136 -179.536 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 67.24 -65.11 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 123.68 0.612 . . . . 0.0 109.801 -179.558 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 31.7 m80 -147.74 -4.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 109.636 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.23 13.07 0.8 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.211 -179.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.43 68.38 1.68 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.634 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.0 -46.35 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.447 -179.575 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' ILE . 24.9 m-85 -51.05 -40.28 57.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 15' ' ' PHE . 9.8 pt -156.33 60.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-O 121.451 0.644 . . . . 0.0 110.344 179.711 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -166.3 -13.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.197 179.751 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.56 51.07 0.59 Allowed Glycine 0 N--CA 1.453 -0.232 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.823 ' N ' ' H ' ' A' ' 22' ' ' ASN . 22.3 ttt -176.81 -59.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 -178.756 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.3 mp -66.87 -7.83 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 103.301 -2.851 . . . . 0.0 103.301 172.631 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.578 ' N ' ' C ' ' A' ' 19' ' ' MET . 76.7 mt-30 -121.94 -24.83 5.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.993 176.864 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.823 ' H ' ' N ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -115.57 24.89 11.21 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 119.475 -0.89 . . . . 0.0 111.616 179.391 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' N ' ' O ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -160.41 -111.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.397 179.833 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.535 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 1.9 t60 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.766 0.317 . . . . 0.0 110.607 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.87 -77.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 55.23 26.76 44.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.009 -179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.62 8.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mt 48.32 93.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 35.1 pt -147.48 -143.91 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.779 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp 53.29 25.9 4.81 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.35 -3.204 . . . . 0.0 102.35 -170.38 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.0 86.71 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 0 CA-C-N 108.453 -3.976 . . . . 0.0 112.222 -173.89 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.49 44.37 5.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.102 -0.549 . . . . 0.0 110.164 -179.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.05 -95.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 124.111 0.882 . . . . 0.0 110.683 -178.808 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.0 m80 -53.71 -5.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.72 -1.54 6.44 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.471 179.018 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.57 -30.29 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -72.65 -24.53 61.05 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.175 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -42.93 -61.7 1.21 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.73 0.3 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.74 -88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.555 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -145.63 3.63 0.99 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 151.03 -50.38 0.53 Allowed Glycine 0 CA--C 1.508 -0.357 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.558 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 166.87 17.93 0.0 OUTLIER 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 64.52 -12.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 -174.012 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.8 tp-100 -103.28 -42.5 5.72 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.172 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -89.08 -18.95 26.23 Favored 'General case' 0 N--CA 1.457 -0.113 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.592 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -40.29 100.08 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.237 179.172 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 179.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.314 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.22 159.72 31.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.98 65.26 0.2 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.275 -0.488 . . . . 0.0 111.89 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.49 -44.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.06 -38.8 66.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.626 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mm 59.86 -141.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.19 -179.782 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' H ' HG22 ' A' ' 6' ' ' ILE . 34.4 ttmt 53.83 25.73 5.48 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.412 -3.181 . . . . 0.0 102.412 -170.573 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.626 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.64 83.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.161 1 CA-C-N 108.196 -4.093 . . . . 0.0 112.575 -173.923 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.4 47.45 21.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.066 -0.567 . . . . 0.0 110.695 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.48 -38.71 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.937 179.928 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 9' ' ' ALA . 71.9 t60 -171.93 -14.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.141 -179.85 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.37 9.58 0.47 Allowed Glycine 0 C--N 1.333 0.362 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.52 72.44 1.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -167.52 -35.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.812 0.339 . . . . 0.0 110.21 179.953 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -80.83 90.46 5.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt 53.25 55.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -132.1 -64.71 0.76 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.239 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.11 -56.81 21.34 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 176.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.8 mtp 171.08 82.51 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 113.757 -1.222 . . . . 0.0 109.586 175.965 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.8 mt 61.48 18.34 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.504 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -177.016 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' C ' ' A' ' 19' ' ' MET . 0.6 OUTLIER 95.12 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 112.237 -2.256 . . . . 0.0 105.918 -176.837 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' C ' ' A' ' 19' ' ' MET . 43.1 t-20 44.67 48.36 8.74 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.73 -178.128 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -75.75 -72.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.633 -179.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 -179.942 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.578 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.5 mp -72.16 151.24 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.97 -53.44 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.046 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.76 62.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.723 -179.94 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.0 mp -62.75 -50.5 70.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.19 -179.937 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.9 tt -92.16 -150.12 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 119.087 -0.483 . . . . 0.0 109.781 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.72 ' N ' HG23 ' A' ' 6' ' ' ILE . 2.0 mptm? 54.99 25.98 7.49 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 101.893 -3.373 . . . . 0.0 101.893 -170.269 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.567 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.63 81.9 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.069 0 CA-C-N 108.511 -3.949 . . . . 0.0 112.283 -173.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 57.5 51.74 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.127 -0.536 . . . . 0.0 110.29 -179.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 72.83 -38.86 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.784 -179.711 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' A' ' 9' ' ' ALA . 25.7 t-80 -172.86 -15.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.062 179.87 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 145.49 21.32 0.14 Allowed Glycine 0 C--N 1.334 0.426 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.31 68.05 1.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -168.63 -34.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.893 0.377 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -64.28 -23.35 67.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.157 179.767 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 29.2 mt -77.89 -80.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.244 179.859 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.5 m-70 -161.3 35.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.076 0.465 . . . . 0.0 110.453 179.826 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 125.01 -44.53 1.25 Allowed Glycine 0 CA--C 1.505 -0.554 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.438 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' ASN . 2.7 ttt 160.08 86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.771 -1.215 . . . . 0.0 108.812 178.249 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 15.8 mt 60.56 21.62 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 -176.058 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 0.5 OUTLIER 88.19 34.48 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -176.417 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' N ' ' O ' ' A' ' 19' ' ' MET . 8.1 p30 42.67 59.02 2.94 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.165 -177.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.27 -74.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.65 -179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.506 -179.859 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 50.6 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 10.9 mt -75.18 159.2 31.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.515 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.4 -36.28 75.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.107 -0.568 . . . . 0.0 111.929 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.29 156.26 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.478 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.64 85.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.5 pt -147.71 -146.76 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.897 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 53.94 26.07 5.96 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 102.247 -3.242 . . . . 0.0 102.247 -170.223 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.56 78.15 0.03 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.353 -4.022 . . . . 0.0 112.221 -173.963 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.85 65.14 1.58 Allowed 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.941 -179.539 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.6 OUTLIER 67.64 -64.93 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 O-C-N 123.832 0.708 . . . . 0.0 109.591 -179.267 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' N ' HG22 ' A' ' 10' ' ' ILE . 44.0 t60 -156.26 2.66 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.718 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 140.91 -11.68 2.87 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.407 -179.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 -77.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.895 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -156.42 88.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.01 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 57.47 -81.46 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -178.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' N ' ' O ' ' A' ' 14' ' ' ARG . 15.9 mt -64.57 -73.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 176.563 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' ND1' ' OE1' ' A' ' 21' ' ' GLN . 58.4 t-80 -174.45 58.59 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 178.185 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.895 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 109.9 -34.69 5.3 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 179.752 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' ASN . 36.4 ttp 137.22 88.35 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 113.614 -1.293 . . . . 0.0 110.726 177.608 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 4.7 mm 62.95 19.85 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.541 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 -177.378 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.495 ' OE1' ' ND1' ' A' ' 17' ' ' HIS . 6.4 tp-100 88.87 32.69 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -175.94 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 19' ' ' MET . 20.6 t30 44.55 63.1 1.79 Allowed 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 113.323 -1.762 . . . . 0.0 110.034 -177.318 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -69.39 120.79 15.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 113.551 -1.659 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.927 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.839 0.352 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 mt -78.07 57.75 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.46 2.96 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.102 -0.57 . . . . 0.0 111.891 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.6 -125.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.581 0.229 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.71 57.53 0.74 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.066 179.797 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.6 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.0 mt 50.23 -143.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mttm 53.34 25.16 4.29 Favored 'General case' 0 C--N 1.346 0.422 0 N-CA-C 102.637 -3.098 . . . . 0.0 102.637 -170.592 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.83 79.1 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.194 -4.093 . . . . 0.0 112.161 -174.017 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.59 72.56 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.908 -0.646 . . . . 0.0 109.743 -179.393 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 67.35 -69.75 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 O-C-N 123.905 0.753 . . . . 0.0 109.537 -179.198 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.524 ' N ' HG22 ' A' ' 10' ' ' ILE . 9.7 t60 -154.77 2.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.835 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.9 36.8 1.47 Allowed Glycine 0 C--N 1.333 0.393 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.784 179.955 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.62 73.43 0.32 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.04 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -164.98 -37.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.343 -179.839 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 16' ' ' ILE . 33.3 t80 -55.06 -44.64 74.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.336 -179.847 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' PHE . 8.9 pt -156.43 60.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.239 0.542 . . . . 0.0 110.461 179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -163.25 -15.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -139.9 49.58 0.8 Allowed Glycine 0 C--N 1.33 0.236 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.78 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 21.7 ttt -177.79 -55.71 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -178.658 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -65.23 -10.56 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 172.241 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 29.8 tt0 -118.43 -26.28 6.28 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 111.841 -2.436 . . . . 0.0 108.657 176.739 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.78 ' H ' ' CA ' ' A' ' 19' ' ' MET . 15.8 m-20 -116.1 24.37 11.48 Favored 'General case' 0 C--N 1.385 2.14 0 CA-C-N 119.572 1.078 . . . . 0.0 112.033 179.519 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' MET . 46.5 t60 54.38 165.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.989 0.424 . . . . 0.0 110.859 179.423 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.512 179.971 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.771 0.319 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.2 mm? -72.91 140.86 47.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.08 -179.976 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.31 6.69 5.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.183 -0.532 . . . . 0.0 111.982 -179.955 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.99 75.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -162.18 20.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.723 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.5 tp -144.16 -148.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.035 179.862 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.723 ' N ' HG23 ' A' ' 6' ' ' ILE . 52.8 mtpt 53.86 25.2 5.05 Favored 'General case' 0 C--N 1.345 0.393 0 N-CA-C 102.543 -3.132 . . . . 0.0 102.543 -170.531 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.21 70.68 0.15 Allowed Glycine 0 N--CA 1.424 -2.114 1 CA-C-N 108.202 -4.09 . . . . 0.0 112.094 -174.156 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.38 73.57 0.13 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.185 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.505 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 36.03 -122.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 124.009 0.818 . . . . 0.0 110.588 -178.683 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -79.53 37.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 59.82 46.38 94.18 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.545 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.27 64.61 3.37 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.382 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -162.43 -19.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.808 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -48.36 -21.17 0.49 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 179.811 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 11.4 mt -139.36 -74.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.833 179.691 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 43.1 m80 -164.4 79.15 0.37 Allowed 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.278 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.604 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.45 31.4 74.2 Favored Glycine 0 CA--C 1.483 -1.943 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.786 -179.056 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.835 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.6 ttt 72.7 0.91 3.81 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.23 -179.502 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mm 61.78 -11.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -175.313 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.835 ' H ' ' C ' ' A' ' 19' ' ' MET . 24.0 tt0 -113.0 -3.03 14.09 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.3 179.444 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.604 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.8 t30 -127.83 -30.14 2.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 178.651 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 20.2 p80 41.16 92.96 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.216 178.987 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.1 t60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.328 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.5 145.85 55.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.446 179.894 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.9 63.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.932 -179.939 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -170.59 -47.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.657 0.265 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.7 mp -65.48 -15.5 62.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.129 179.919 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.595 ' C ' ' N ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -127.1 -144.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.761 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? 54.76 25.87 7.03 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 102.182 -3.266 . . . . 0.0 102.182 -170.425 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.595 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 66.98 0.18 Allowed Glycine 0 N--CA 1.426 -2.028 1 CA-C-N 108.372 -4.013 . . . . 0.0 112.121 -173.778 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 74.96 71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.089 -0.556 . . . . 0.0 109.67 -179.295 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 31.61 -101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.268 -179.793 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.3 p-80 -38.6 -19.3 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.732 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -45.71 -15.29 0.09 OUTLIER Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.1 179.712 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' HIS . . . -156.41 -20.93 0.04 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.877 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.06 -24.72 55.14 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.771 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -40.22 -59.36 1.29 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.194 179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.6 mt -77.82 -81.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 80.0 t60 -163.01 24.9 0.09 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.956 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.65 -52.96 0.7 Allowed Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.47 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.543 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER 170.73 82.62 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 113.662 -1.269 . . . . 0.0 108.593 177.592 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.0 mt 62.67 17.91 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 -176.263 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 25.8 tt0 95.32 30.93 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 112.409 -2.178 . . . . 0.0 105.845 -176.776 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' MET . 31.4 t30 46.99 50.76 13.55 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 113.7 -1.591 . . . . 0.0 109.743 -178.252 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 55.76 -175.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.7 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.918 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.2 mm? 53.06 35.43 19.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.84 46.11 94.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.869 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 51.7 70.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.3 mm? 51.83 17.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.997 -179.869 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 3.6 tt 37.82 -156.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 -179.78 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 17.6 tptp 56.5 25.64 9.97 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 101.909 -3.367 . . . . 0.0 101.909 -170.22 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.23 82.8 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.176 1 CA-C-N 108.33 -4.032 . . . . 0.0 112.3 -174.102 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.54 71.08 0.55 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.082 -0.559 . . . . 0.0 109.868 -179.73 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.42 -69.61 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 123.721 0.638 . . . . 0.0 109.579 -179.33 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.534 ' N ' HG22 ' A' ' 10' ' ' ILE . 30.9 m80 -151.43 1.29 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.915 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.68 27.45 1.16 Allowed Glycine 0 C--N 1.332 0.351 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.581 -179.929 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.87 71.1 0.71 Allowed Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.842 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.97 -31.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.942 0.401 . . . . 0.0 110.025 -179.874 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -46.78 -36.63 7.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.699 179.906 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mp -94.21 -79.81 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.336 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -172.08 48.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.556 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 118.75 -40.13 2.36 Favored Glycine 0 C--N 1.334 0.463 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -178.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.54 ' C ' ' H ' ' A' ' 22' ' ' ASN . 8.2 tpt 144.32 87.66 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.884 1.274 . . . . 0.0 109.18 178.161 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.0 mm 63.8 20.64 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 105.29 -2.115 . . . . 0.0 105.29 -175.833 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 8.6 tt0 87.38 30.88 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 -175.766 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.1 t30 48.38 64.69 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 112.989 -1.914 . . . . 0.0 110.224 -178.024 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 20' ' ' ILE . 34.9 m170 -80.67 -104.25 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.024 179.307 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.572 -179.947 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 1' ' ' PHE . 62.3 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.775 0.321 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.1 mt -70.68 -24.72 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.469 179.851 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.99 48.66 77.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.912 179.969 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.03 103.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.838 0.352 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' ILE . 4.8 tp -159.61 4.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.035 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.898 ' C ' ' H ' ' A' ' 8' ' ' GLY . 22.1 pt -157.84 18.03 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.16 179.334 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' HIS . 29.7 mmtp -85.13 28.04 0.74 Allowed 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 100.367 -3.938 . . . . 0.0 100.367 167.57 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.898 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 67.94 49.49 47.7 Favored Glycine 0 N--CA 1.416 -2.671 0 CA-C-N 108.82 -3.809 . . . . 0.0 111.57 -176.625 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 10' ' ' ILE . . . 64.68 5.04 2.57 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 114.743 -0.729 . . . . 0.0 109.968 179.895 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 ' O ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -164.44 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.592 179.883 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' LYS . 17.1 t-80 -157.95 27.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.735 -179.963 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . 79.12 46.35 8.3 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 -179.857 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.46 1.73 1.89 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.067 179.876 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 12' ' ' GLY . 11.6 mmm180 -73.88 -14.78 61.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.757 0.313 . . . . 0.0 110.454 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -51.9 -27.65 13.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -98.85 -78.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.107 179.909 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.8 t60 -169.4 38.87 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.058 179.582 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.6 -45.71 1.14 Allowed Glycine 0 CA--C 1.506 -0.53 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.329 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.0 ttt 156.67 86.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.673 -1.264 . . . . 0.0 109.006 178.081 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 13.9 mt 61.05 21.48 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 -175.889 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.7 tt0 89.04 32.68 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 112.631 -2.077 . . . . 0.0 105.578 -176.63 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 19' ' ' MET . 2.1 p-10 45.17 58.92 3.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.104 -177.925 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -166.06 131.01 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.673 -1.603 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 179.943 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.735 0.302 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 2' ' ' LEU . 8.1 mp -70.42 -88.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.081 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.08 10.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.865 -179.986 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.61 167.59 17.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.565 -179.99 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.23 16.53 1.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.776 -179.919 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.31 -140.76 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 -179.864 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 mttm 53.4 25.73 4.84 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 102.402 -3.185 . . . . 0.0 102.402 -170.468 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.71 84.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.06 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.331 -173.672 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 59.24 47.29 11.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.205 -0.497 . . . . 0.0 110.49 -179.682 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.16 -35.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -165.21 -23.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.846 0.355 . . . . 0.0 110.538 -179.937 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 148.36 -15.91 1.29 Allowed Glycine 0 C--N 1.334 0.469 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 164.0 42.0 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.532 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 -179.739 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.625 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 88.8 mtt180 54.66 19.72 2.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.294 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' SD ' ' A' ' 19' ' ' MET . 25.5 t80 55.59 89.07 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.436 -179.328 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' CB ' ' A' ' 17' ' ' HIS . 5.9 mm 73.59 -37.48 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.52 -178.86 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER 147.79 67.05 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.122 0.889 . . . . 0.0 110.19 179.349 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.625 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 102.87 -33.1 6.85 Favored Glycine 0 C--N 1.347 1.186 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 -179.067 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 15' ' ' PHE . 7.7 tpt 136.72 87.86 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 113.323 -1.438 . . . . 0.0 111.426 177.85 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.2 mt 61.23 20.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 -177.986 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 14.9 tt0 90.3 33.41 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.091 -2.189 . . . . 0.0 105.091 -176.426 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 t-20 42.13 59.23 2.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 113.547 -1.661 . . . . 0.0 109.934 -177.184 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 59.37 104.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.538 -179.987 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.3 t60 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.604 179.98 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.81 0.338 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.9 mt 54.85 -172.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.76 0.64 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.048 -179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 -141.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.683 0.278 . . . . 0.0 110.614 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.1 mt -62.94 -21.94 66.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' C ' ' N ' ' A' ' 8' ' ' GLY . 47.7 pt 39.23 -143.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.793 -179.98 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 53.37 25.88 4.91 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 -170.394 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.566 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.68 95.09 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.105 1 CA-C-N 108.332 -4.031 . . . . 0.0 112.242 -173.735 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.19 43.15 18.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.071 -0.564 . . . . 0.0 109.936 -179.266 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.17 -96.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 O-C-N 123.998 0.811 . . . . 0.0 110.528 -179.168 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 13' ' ' GLY . 10.8 m-70 -54.28 -5.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -65.52 -2.01 9.64 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.366 179.273 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.33 -21.22 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.707 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' O ' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.55 -28.37 60.92 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.525 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -42.44 -44.74 4.14 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.861 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -76.25 -81.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.976 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 44.9 t-80 -168.12 34.17 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.722 179.429 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.21 0.79 Allowed Glycine 0 CA--C 1.503 -0.676 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.765 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.55 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.5 mtp 171.85 84.51 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.818 -1.191 . . . . 0.0 108.819 177.917 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.668 ' O ' HG22 ' A' ' 20' ' ' ILE . 1.5 mp 60.47 17.37 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 -176.626 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 5.5 tt0 96.97 33.54 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.186 -2.279 . . . . 0.0 105.704 -177.37 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' H ' ' N ' ' A' ' 19' ' ' MET . 1.6 p-10 44.13 48.19 7.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.754 -177.952 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 t60 47.99 100.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 113.986 -1.461 . . . . 0.0 110.854 179.905 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.523 179.943 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.799 0.333 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.96 -165.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.693 -179.757 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 50.44 0.19 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.836 179.973 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.56 -49.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.567 -179.909 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.0 mt -69.15 -57.44 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.0 pt -78.22 -152.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.4 tttt 55.22 25.55 7.44 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 102.008 -3.33 . . . . 0.0 102.008 -170.549 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.611 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.68 81.32 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.217 1 CA-C-N 108.192 -4.095 . . . . 0.0 112.256 -173.837 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.4 70.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.025 -0.587 . . . . 0.0 110.151 -179.758 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mt 67.07 -66.5 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.819 0.7 . . . . 0.0 109.813 -179.608 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 10' ' ' ILE . 53.7 t-80 -156.03 1.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -179.654 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.26 21.04 38.46 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.411 -179.563 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.58 -28.06 0.03 OUTLIER Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -97.21 -22.83 16.48 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.388 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -41.78 -64.53 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.8 mt -72.14 -79.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.618 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -175.62 74.7 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.407 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 60.91 49.32 79.88 Favored Glycine 0 C--O 1.208 -1.484 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -177.994 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.881 ' C ' ' H ' ' A' ' 21' ' ' GLN . 13.4 ttt 45.9 14.28 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 179.422 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' GLY . 12.6 mm 59.99 -10.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -175.261 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.881 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.3 tt0 -103.71 -42.22 5.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.213 179.215 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.7 m-20 -83.25 -28.5 29.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 106.881 -1.525 . . . . 0.0 106.881 177.386 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 15.5 p80 40.2 23.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.408 179.609 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.2 t60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -70.56 160.69 32.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.533 179.958 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -170.4 4.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.986 -179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.447 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -169.98 -0.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 110.637 179.919 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 2.1 mm? 55.03 109.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.61 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.7 mt 55.39 -140.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.3 tptt 53.81 25.1 4.9 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.565 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.61 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.14 82.67 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.012 1 CA-C-N 108.341 -4.027 . . . . 0.0 112.198 -173.974 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.87 72.91 0.46 Allowed 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -179.354 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 68.23 -69.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 124.02 0.825 . . . . 0.0 109.505 -178.96 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' N ' HG22 ' A' ' 10' ' ' ILE . 51.5 m-70 -146.62 -7.55 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.814 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 73.63 9.08 78.07 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.271 -179.9 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.22 50.03 0.05 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.719 179.832 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -161.21 -26.49 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.035 0.418 . . . . 0.0 109.959 178.329 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -46.03 -18.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.695 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.477 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 6.8 mm -133.33 -80.34 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.39 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' ND1' ' O ' ' A' ' 16' ' ' ILE . 57.7 m-70 -149.33 16.24 0.92 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.525 179.783 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.34 51.22 60.13 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.554 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.778 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 45.4 ttp 179.91 -51.48 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 O-C-N 124.484 0.755 . . . . 0.0 109.133 -179.167 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.3 mp -66.56 -10.83 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 102.998 -2.964 . . . . 0.0 102.998 173.32 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.561 ' N ' ' C ' ' A' ' 19' ' ' MET . 8.2 tp-100 -124.43 -21.81 4.82 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 111.798 -2.456 . . . . 0.0 108.992 177.304 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.778 ' H ' ' CA ' ' A' ' 19' ' ' MET . 22.4 t-20 -112.28 14.39 20.49 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 120.049 1.295 . . . . 0.0 111.501 179.812 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' MET . 96.4 m-70 41.73 18.66 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.725 179.483 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 22' ' ' ASN . 49.1 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 110.514 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.71 -171.43 3.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.588 -179.907 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.95 46.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.018 -179.996 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.7 -21.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 110.481 -179.971 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp 60.83 21.44 11.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.585 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.2 mt 50.9 -141.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.693 -179.953 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.9 mttp 53.46 25.76 4.96 Favored 'General case' 0 C--N 1.345 0.381 0 N-CA-C 102.444 -3.169 . . . . 0.0 102.444 -170.455 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.585 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.63 78.83 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.113 1 CA-C-N 108.281 -4.054 . . . . 0.0 112.396 -173.787 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 49.98 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.142 -0.529 . . . . 0.0 110.64 -179.927 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 74.62 -39.24 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -171.57 -2.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 80.23 29.5 45.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.986 -179.892 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.16 7.96 0.03 OUTLIER Glycine 0 CA--C 1.508 -0.391 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.552 -179.962 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.634 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 90.0 mtt180 54.25 23.77 4.52 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.816 -179.622 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 56.96 80.27 0.16 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.623 -178.926 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 7.2 mm 74.53 -38.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.935 -179.197 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.4 m170 155.84 65.68 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 O-C-N 123.614 0.571 . . . . 0.0 109.768 179.879 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.634 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 103.23 -31.83 8.28 Favored Glycine 0 C--N 1.344 0.991 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.911 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.507 ' O ' ' N ' ' A' ' 22' ' ' ASN . 37.6 tpp 139.73 90.54 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.772 1.229 . . . . 0.0 111.082 177.941 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.6 mt 59.86 21.83 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.594 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 -177.568 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 37.5 tp60 89.36 35.29 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 -176.22 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' MET . 2.2 p-10 39.56 58.66 1.96 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.099 -176.716 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -78.49 -4.62 49.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.345 -1.752 . . . . 0.0 110.669 -179.822 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 -179.989 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.769 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 53.05 -148.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.765 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.3 36.28 0.4 Allowed Glycine 0 C--N 1.332 0.351 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 -179.939 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -166.07 -16.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 110.103 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' H ' ' H ' ' A' ' 4' ' ' ALA . 19.1 tp 54.11 91.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.785 179.591 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.8 mm -126.41 -139.42 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.305 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.7 mttp 51.85 25.81 3.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 102.696 -3.075 . . . . 0.0 102.696 -171.06 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.3 79.34 0.02 OUTLIER Glycine 0 N--CA 1.425 -2.097 1 CA-C-N 108.215 -4.084 . . . . 0.0 112.351 -173.487 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 55.54 51.98 11.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.131 -0.534 . . . . 0.0 110.457 -179.751 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.4 pt 34.76 80.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.525 -179.793 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 48.92 15.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 74.69 49.22 11.12 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 -179.552 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.87 4.19 13.51 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.502 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -88.9 -18.52 27.37 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.743 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -42.52 -31.49 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.3 mt -117.34 -80.62 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.129 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.27 66.6 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.887 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.563 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.2 55.47 27.62 Favored Glycine 0 C--O 1.214 -1.136 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.12 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.839 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.3 mmm 43.11 15.7 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 18' ' ' GLY . 8.4 mm 59.28 -8.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.599 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.839 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 tp-100 -108.9 -43.89 4.12 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.797 -179.846 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 18' ' ' GLY . 13.0 m120 -80.23 -31.33 38.57 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.905 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.6 p-80 41.61 21.19 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.202 179.715 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.492 ' ND1' ' O ' ' A' ' 22' ' ' ASN . 4.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.468 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.2 tt -167.0 -69.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.24 11.19 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 -179.969 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.16 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 110.693 -179.992 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' GLY . 21.4 mt -75.14 6.39 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.753 -179.844 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt 50.91 -140.93 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.632 179.999 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 52.86 25.74 4.12 Favored 'General case' 0 C--N 1.347 0.499 0 N-CA-C 102.541 -3.133 . . . . 0.0 102.541 -170.516 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.623 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.45 78.6 0.02 OUTLIER Glycine 0 N--CA 1.426 -2.031 1 CA-C-N 108.304 -4.044 . . . . 0.0 112.324 -173.667 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.58 70.54 0.56 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.844 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.47 -68.62 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 123.652 0.595 . . . . 0.0 109.669 -179.312 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.528 ' N ' HG22 ' A' ' 10' ' ' ILE . 25.9 t60 -153.53 1.73 0.26 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.96 10.81 3.03 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.728 179.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.31 68.46 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.009 -179.938 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -166.61 -26.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.55 -44.88 96.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.167 179.994 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -155.59 60.5 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.151 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -154.35 -22.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.727 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.53 50.96 0.73 Allowed Glycine 0 CA--C 1.501 -0.809 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.3 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.727 ' CA ' ' H ' ' A' ' 22' ' ' ASN . 3.9 ppp? -170.84 -37.95 0.02 OUTLIER 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 114.196 -1.002 . . . . 0.0 108.696 178.937 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 21' ' ' GLN . 1.5 pp -65.16 -10.07 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 102.975 -2.972 . . . . 0.0 102.975 171.174 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.715 ' N ' HD12 ' A' ' 20' ' ' ILE . 11.1 tt0 -123.62 -28.04 3.93 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 112.066 -2.334 . . . . 0.0 109.849 177.75 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.727 ' H ' ' CA ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -106.71 17.01 23.79 Favored 'General case' 0 C--N 1.386 2.175 0 CA-C-N 120.468 1.486 . . . . 0.0 110.442 179.275 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.2 t-80 50.21 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' ASN . 10.6 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.827 0.346 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.3 mp -73.49 -59.0 2.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.243 179.949 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.63 -35.96 1.01 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.132 -0.556 . . . . 0.0 111.935 179.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -168.59 -178.28 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.32 . . . . 0.0 110.412 179.944 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.9 mp -76.95 108.87 10.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt -141.79 -143.82 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.763 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.408 179.722 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm 53.25 25.82 4.68 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 102.402 -3.184 . . . . 0.0 102.402 -170.523 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.3 87.76 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.092 1 CA-C-N 108.377 -4.011 . . . . 0.0 112.256 -173.796 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' HIS . . . 39.36 43.47 0.96 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.715 -179.549 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.3 pt 36.54 -94.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.981 0.801 . . . . 0.0 110.276 -179.062 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' C ' ' H ' ' A' ' 13' ' ' GLY . 3.3 m-70 -48.38 -11.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.701 179.341 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -63.46 -2.21 5.43 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.382 178.905 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -148.49 -48.51 0.02 OUTLIER Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.766 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 16' ' ' ILE . 9.1 mmm180 -51.64 -45.25 63.27 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.327 179.679 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -41.05 -22.3 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.058 0.456 . . . . 0.0 110.87 179.251 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.5 tt -162.58 58.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 122.051 0.929 . . . . 0.0 109.465 179.17 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -155.18 -53.75 0.09 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 114.947 -1.024 . . . . 0.0 108.516 179.121 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' ' SD ' ' A' ' 19' ' ' MET . . . -63.53 -65.55 3.01 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 176.582 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.58 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.7 tpp 170.67 81.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 113.834 -1.183 . . . . 0.0 108.925 175.622 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.577 ' N ' HD13 ' A' ' 20' ' ' ILE . 2.0 mm 66.29 10.58 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.404 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -177.224 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 4.2 pt20 107.16 25.44 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 112.707 -2.042 . . . . 0.0 105.67 -177.036 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.58 ' H ' ' C ' ' A' ' 19' ' ' MET . 17.4 t-20 53.23 45.12 29.22 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.95 -177.961 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -55.08 113.25 1.29 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 179.919 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.6 mp -74.7 130.23 39.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.113 179.935 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.39 -47.46 62.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.945 -179.958 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.01 -167.18 0.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.799 0.333 . . . . 0.0 110.585 -179.993 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.46 85.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.915 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -147.28 -149.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.786 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 54.05 26.11 6.17 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.181 -3.266 . . . . 0.0 102.181 -170.19 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.42 80.69 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.152 1 CA-C-N 108.345 -4.025 . . . . 0.0 112.235 -173.947 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.23 68.93 0.78 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.08 -0.56 . . . . 0.0 109.767 -179.54 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.73 -67.54 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 O-C-N 123.824 0.702 . . . . 0.0 109.43 -179.148 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' N ' HG22 ' A' ' 10' ' ' ILE . 1.2 t60 -151.44 -1.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.823 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.71 33.67 0.69 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.874 179.748 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.19 73.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.165 -0.541 . . . . 0.0 111.932 -179.979 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' HIS . 8.6 tpt180 -167.03 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -68.19 114.14 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.831 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 pt 37.23 48.66 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.953 -178.849 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -143.09 -26.49 0.59 Allowed 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.558 179.869 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.44 -48.93 27.29 Favored Glycine 0 CA--C 1.498 -1.028 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.849 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.3 ttt -177.42 14.59 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.627 0 CA-C-N 112.771 -1.714 . . . . 0.0 108.358 179.506 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 mm 63.19 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 104.389 -2.449 . . . . 0.0 104.389 -173.01 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.849 ' H ' ' C ' ' A' ' 19' ' ' MET . 30.4 tt0 -136.02 -12.68 1.92 Allowed 'General case' 0 C--N 1.358 0.959 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.488 -179.509 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -109.45 -15.79 14.14 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.173 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -38.85 -95.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.235 179.553 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.586 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 86.4 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.585 -179.915 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.79 0.329 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.7 mt -65.42 -140.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.521 179.905 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 23.25 68.5 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.864 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.0 -41.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.48 -12.47 60.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.706 -179.9 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.735 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.6 tp -164.51 -145.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.614 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.735 ' N ' HG23 ' A' ' 6' ' ' ILE . 48.3 mtpt 54.07 25.93 6.03 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 -170.184 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.07 79.2 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.195 1 CA-C-N 108.342 -4.026 . . . . 0.0 112.336 -173.987 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.55 53.04 11.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.153 -0.524 . . . . 0.0 110.595 -179.815 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 71.73 -35.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.315 179.894 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ALA . 69.4 t60 -173.15 -18.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 147.1 26.17 0.08 OUTLIER Glycine 0 C--N 1.331 0.252 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.775 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.91 66.32 2.78 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.386 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -162.4 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.333 -179.339 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -42.46 -20.89 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' ARG . 16.9 mt -123.4 -77.59 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.605 179.489 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.2 t60 -171.03 46.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.009 0.433 . . . . 0.0 110.458 179.39 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 116.94 -40.17 2.45 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.125 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' ASN . 26.6 ttp 147.91 89.21 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.787 -1.206 . . . . 0.0 109.477 177.835 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 10.2 mt 60.11 22.02 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 -176.359 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 12.0 tt0 88.7 32.85 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -176.529 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.0 p-10 44.05 59.33 3.23 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 113.366 -1.743 . . . . 0.0 110.038 -177.564 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.19 123.96 31.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.509 179.962 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.47 -179.992 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.5 mp -75.2 -28.1 59.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.998 179.856 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.77 1.84 4.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.13 -0.557 . . . . 0.0 111.974 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -74.3 165.84 24.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.571 -179.942 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.4 mp -74.89 3.03 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.215 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG23 ' N ' ' A' ' 7' ' ' LYS . 3.5 tt 38.05 -156.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.949 -179.77 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.705 ' N ' HG23 ' A' ' 6' ' ' ILE . 81.4 tttt 56.0 25.78 9.19 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 101.958 -3.349 . . . . 0.0 101.958 -170.19 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.38 80.65 0.02 OUTLIER Glycine 0 N--CA 1.423 -2.218 1 CA-C-N 108.316 -4.038 . . . . 0.0 112.241 -174.04 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.16 51.41 11.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.25 -0.475 . . . . 0.0 110.281 -179.753 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.9 pt 35.87 71.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.334 0.587 . . . . 0.0 111.376 -179.698 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.503 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 46.63 24.54 0.33 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.789 179.774 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 41.8 94.3 0.01 OUTLIER Glycine 0 CA--C 1.519 0.301 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.613 179.697 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 43.33 75.29 0.16 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.319 -0.467 . . . . 0.0 112.104 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' NH1' ' NE2' ' A' ' 21' ' ' GLN . 9.8 tpt180 -172.7 -59.47 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.698 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ILE . 71.4 t80 -67.78 102.0 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.397 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 10.6 pt 35.63 68.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-O 121.258 0.551 . . . . 0.0 110.077 -178.331 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -153.36 -53.56 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -178.839 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.75 -56.85 18.39 Favored Glycine 0 CA--C 1.503 -0.7 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.243 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.512 ' O ' ' N ' ' A' ' 22' ' ' ASN . 6.0 mtt 159.74 74.28 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 112.861 -1.67 . . . . 0.0 108.982 176.754 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.2 mt 62.31 14.91 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -176.395 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' NE2' ' NH1' ' A' ' 14' ' ' ARG . 38.8 tt0 95.25 34.7 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 -176.432 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 19' ' ' MET . 10.4 t-20 41.56 53.9 3.76 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 113.744 -1.571 . . . . 0.0 109.893 -177.382 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 24' ' ' HIS . 86.2 t60 55.62 -111.52 0.63 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.518 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.807 0.337 . . . . 0.0 110.639 179.961 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.785 0.326 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' ALA . 18.1 mt -68.65 -166.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.995 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.01 22.07 1.57 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 121.319 -0.467 . . . . 0.0 111.975 -179.924 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -169.91 158.6 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 5' ' ' LEU . 8.8 mp -78.39 57.93 2.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.178 179.928 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.7 mm 46.91 -142.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.584 -179.989 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 53.74 25.21 4.89 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 102.66 -3.089 . . . . 0.0 102.66 -170.581 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.46 74.3 0.06 OUTLIER Glycine 0 N--CA 1.424 -2.109 1 CA-C-N 108.234 -4.075 . . . . 0.0 112.172 -173.997 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.73 71.91 0.24 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.757 -0.721 . . . . 0.0 109.682 -179.466 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.6 mp 66.96 -70.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 123.773 0.67 . . . . 0.0 109.534 -179.345 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.531 ' N ' HG22 ' A' ' 10' ' ' ILE . 64.2 t60 -159.17 7.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.878 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.07 43.25 2.09 Favored Glycine 0 C--N 1.332 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.758 -179.823 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.65 74.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.253 -0.498 . . . . 0.0 111.948 179.981 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.73 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 0.0 109.966 -179.873 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -68.58 -24.46 64.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.714 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.0 tt -166.77 70.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.938 0.875 . . . . 0.0 109.616 179.584 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -174.0 -22.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.073 -179.614 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.34 54.99 0.44 Allowed Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.904 179.428 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.805 ' N ' ' H ' ' A' ' 22' ' ' ASN . 19.2 ttt -175.31 -65.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.05 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.1 mm -63.17 -7.5 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 172.659 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.608 ' N ' ' C ' ' A' ' 19' ' ' MET . 55.5 mt-30 -119.63 -26.1 5.8 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 112.069 -2.332 . . . . 0.0 107.485 176.201 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.805 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.2 t-20 -117.72 29.71 7.68 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 119.677 -0.809 . . . . 0.0 112.281 179.643 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 19' ' ' MET . 24.7 t-80 -69.97 80.8 0.48 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.335 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.482 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.765 0.317 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -161.46 177.28 10.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.725 -179.931 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 178.86 -12.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.12 -0.562 . . . . 0.0 111.963 -179.922 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.52 -150.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.0 mp -75.15 97.31 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.12 179.926 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.3 mt -144.48 -142.05 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.242 179.759 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.5 mttt 53.61 25.73 5.16 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 102.469 -3.159 . . . . 0.0 102.469 -170.648 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.09 69.47 0.12 Allowed Glycine 0 N--CA 1.425 -2.057 1 CA-C-N 108.293 -4.049 . . . . 0.0 112.461 -173.841 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.32 70.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.942 -0.629 . . . . 0.0 109.608 -179.757 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt 38.06 -113.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.581 -179.209 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.04 35.13 0.74 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.1 0.409 . . . . 0.0 110.318 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.61 28.83 56.61 Favored Glycine 0 N--CA 1.452 -0.239 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -179.563 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.81 64.35 Favored Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.489 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -132.92 -30.93 1.33 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 -179.575 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' ILE . 14.8 t80 -52.26 -49.14 64.66 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.875 179.916 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG23 ' O ' ' A' ' 15' ' ' PHE . 7.8 pt -156.54 67.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 121.432 0.634 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' H ' ' H ' ' A' ' 18' ' ' GLY . 80.7 t60 -168.79 -14.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.66 179.998 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -144.5 51.24 0.63 Allowed Glycine 0 C--N 1.33 0.211 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.32 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.819 ' N ' ' H ' ' A' ' 22' ' ' ASN . 41.6 ttm -177.04 -59.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -178.481 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -68.2 -5.88 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 172.835 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' N ' ' C ' ' A' ' 19' ' ' MET . 3.5 mp0 -122.91 -24.89 4.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 112.11 -2.314 . . . . 0.0 107.316 176.372 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.819 ' H ' ' N ' ' A' ' 19' ' ' MET . 4.4 t-20 -115.31 24.78 11.35 Favored 'General case' 0 C--N 1.383 2.025 0 C-N-CA 119.402 -0.919 . . . . 0.0 111.628 179.193 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 19' ' ' MET . 1.6 m-70 48.26 -176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 110.83 179.812 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 p80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.52 179.988 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.835 0.35 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.7 mp 53.42 -95.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.93 49.6 41.52 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.148 -0.548 . . . . 0.0 111.888 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.19 -20.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 5' ' ' LEU . 1.9 tt 51.48 84.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.219 179.906 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.739 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.6 tt -166.45 -148.32 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.116 -179.844 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' N ' HG23 ' A' ' 6' ' ' ILE . 56.9 tttm 55.7 25.82 8.68 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 102.143 -3.28 . . . . 0.0 102.143 -170.333 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.41 79.34 0.02 OUTLIER Glycine 0 N--CA 1.424 -2.135 1 CA-C-N 108.287 -4.052 . . . . 0.0 112.411 -173.968 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 47.31 53.13 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.243 -0.479 . . . . 0.0 110.712 -179.805 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 76.4 -44.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.656 -179.851 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 27.0 m80 -164.36 -17.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.652 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 151.53 9.05 0.1 Allowed Glycine 0 C--N 1.332 0.319 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.26 67.47 1.75 Allowed Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -170.94 -42.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' ILE . 27.6 t80 -39.87 -33.86 0.23 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.274 0.559 . . . . 0.0 110.344 -179.636 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' PHE . 20.8 pt -159.96 47.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.915 178.587 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -132.63 -39.03 1.01 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 -179.832 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.71 -42.68 45.8 Favored Glycine 0 CA--C 1.504 -0.65 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.84 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.871 ' C ' ' H ' ' A' ' 21' ' ' GLN . 4.1 mtt 160.25 15.81 0.0 OUTLIER 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 113.901 -1.15 . . . . 0.0 108.038 -179.641 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.6 mp 60.34 -6.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 105.018 -2.215 . . . . 0.0 105.018 -174.3 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.871 ' H ' ' C ' ' A' ' 19' ' ' MET . 44.6 tt0 -126.34 -18.43 4.92 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 114.25 -1.341 . . . . 0.0 112.129 -179.264 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -107.31 -35.44 6.8 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.229 0.468 . . . . 0.0 110.434 -179.729 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 48.49 -132.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.672 -179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.7 mp -67.74 154.4 41.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.231 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.88 32.21 1.26 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.277 -0.487 . . . . 0.0 111.905 179.94 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . 55.48 52.41 11.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.522 -179.921 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.4 11.57 0.75 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.374 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 25.4 pt -145.02 -145.38 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.742 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.452 179.909 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 mttt 53.76 25.96 5.58 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 -170.376 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.09 75.73 0.05 OUTLIER Glycine 0 N--CA 1.425 -2.066 1 CA-C-N 108.346 -4.025 . . . . 0.0 112.377 -173.814 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.03 60.4 3.25 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.077 -0.562 . . . . 0.0 110.29 -179.786 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' N ' ' A' ' 11' ' ' HIS . 0.5 OUTLIER 66.99 -66.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 O-C-N 123.533 0.52 . . . . 0.0 109.67 -179.591 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 10' ' ' ILE . 74.9 t60 -145.91 -1.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.801 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.0 29.51 1.12 Allowed Glycine 0 C--N 1.336 0.546 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.89 179.868 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.85 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.949 179.908 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -168.81 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.937 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -48.87 -42.6 37.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.819 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.662 HD12 ' N ' ' A' ' 16' ' ' ILE . 1.8 mp -65.55 -79.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.38 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -169.05 57.36 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.621 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 80.07 67.52 1.56 Allowed Glycine 0 CA--C 1.495 -1.165 0 CA-C-O 121.602 0.557 . . . . 0.0 112.036 -179.944 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.87 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.4 ttt 38.4 16.62 0.0 OUTLIER 'General case' 0 CA--C 1.489 -1.372 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 179.099 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.8 mp 57.85 -6.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -175.097 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.87 ' H ' ' C ' ' A' ' 19' ' ' MET . 40.7 tt0 -125.31 -29.27 3.27 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.936 -179.489 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.6 m120 -84.45 -31.37 24.63 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.215 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.6 t60 59.36 3.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.015 178.998 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ASN . 32.9 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.635 179.948 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.807 0.336 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 2.4 mm? -79.04 18.21 0.66 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.138 -179.961 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 57.14 46.54 91.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.939 -179.941 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -164.03 -8.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.4 mp 51.93 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.23 179.922 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.4 pt -148.37 -146.61 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.686 179.885 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt 54.05 25.95 6.01 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 102.237 -3.245 . . . . 0.0 102.237 -170.252 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.95 82.78 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.199 1 CA-C-N 108.339 -4.028 . . . . 0.0 112.419 -174.039 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.46 37.93 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.146 -0.527 . . . . 0.0 110.439 -179.832 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.11 -39.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.798 -179.899 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' H ' ' H ' ' A' ' 12' ' ' GLY . 9.1 t60 -174.4 -8.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 144.19 6.52 0.55 Allowed Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.518 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.06 65.77 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 -179.684 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.87 -33.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.96 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -42.75 -50.4 5.58 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.7 -76.67 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.095 179.705 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -171.94 71.62 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.471 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 63.26 53.73 37.58 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -178.521 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.846 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER 37.89 18.39 0.0 OUTLIER 'General case' 0 CA--C 1.491 -1.299 0 CA-C-N 114.468 -0.866 . . . . 0.0 112.844 -179.15 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.3 mp 55.71 -2.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 -174.092 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.846 ' H ' ' C ' ' A' ' 19' ' ' MET . 81.7 mt-30 -139.9 -19.95 0.9 Allowed 'General case' 0 C--N 1.357 0.935 0 CA-C-N 114.381 -1.281 . . . . 0.0 111.577 -179.194 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 18' ' ' GLY . 20.5 t-20 -85.09 -38.8 18.68 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.49 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 15.2 m-70 75.67 -162.64 0.06 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.598 178.838 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.1 p80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.961 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.855 0.359 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.2 mt -77.59 45.26 0.48 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 -179.948 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.25 -29.75 16.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.946 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.37 166.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.523 -179.984 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tp -77.87 45.68 0.53 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 49.27 -139.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.8 mttm 53.02 25.81 4.33 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 102.409 -3.182 . . . . 0.0 102.409 -170.533 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.613 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.04 87.83 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.122 1 CA-C-N 108.194 -4.094 . . . . 0.0 112.422 -173.779 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.43 51.41 4.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.608 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 75.29 -41.61 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.104 179.912 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.429 ' H ' ' H ' ' A' ' 12' ' ' GLY . 56.2 t-80 -172.23 -4.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.401 . . . . 0.0 110.078 -179.955 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 123.74 33.6 0.8 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.875 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.25 69.61 1.23 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.674 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -157.0 -61.34 0.09 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.72 0.295 . . . . 0.0 110.241 -179.681 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -55.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 tt 36.73 69.29 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.854 0.835 . . . . 0.0 111.142 -179.264 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -172.24 -17.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.98 -179.887 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.55 53.36 0.34 Allowed Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 179.748 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.834 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.5 ttt -176.48 -62.62 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 -179.316 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.46 -7.71 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 103.675 -2.713 . . . . 0.0 103.675 172.348 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' C ' ' A' ' 19' ' ' MET . 7.4 tt0 -120.68 -25.63 5.45 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 111.976 -2.375 . . . . 0.0 107.689 176.668 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.834 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t-20 -117.19 28.28 8.59 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 119.659 -0.816 . . . . 0.0 111.901 179.491 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' MET . 52.1 t-80 -49.57 -90.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.629 0.252 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 64.5 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.5 179.979 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.22 -37.64 61.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 64.58 38.13 95.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.052 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -170.73 -67.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.0 mp -77.91 28.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.228 -179.946 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -77.73 -148.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 54.23 26.17 6.51 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 102.088 -3.301 . . . . 0.0 102.088 -170.249 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.66 89.6 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.165 1 CA-C-N 108.251 -4.068 . . . . 0.0 112.253 -174.0 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 55.72 54.44 8.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.956 -0.622 . . . . 0.0 110.449 -179.524 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' H ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER 71.35 -35.84 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.365 179.914 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 9' ' ' ALA . 11.7 t-160 -173.54 -17.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.944 0.402 . . . . 0.0 110.121 179.906 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 154.55 3.25 0.12 Allowed Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.708 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.29 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.769 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.867 ' N ' ' H ' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -170.29 84.82 0.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.075 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' H ' ' CG2' ' A' ' 10' ' ' ILE . 41.1 t80 61.3 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 -178.408 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.4 mp -67.08 -69.67 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 176.235 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 16.9 t60 176.15 63.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.854 0.721 . . . . 0.0 110.86 178.162 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.867 ' H ' ' N ' ' A' ' 14' ' ' ARG . . . 111.84 -34.85 5.01 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' O ' ' N ' ' A' ' 22' ' ' ASN . 36.7 ttm 142.94 90.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.698 1.199 . . . . 0.0 109.993 177.607 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 16' ' ' ILE . 7.7 mt 59.96 22.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 N-CA-C 105.391 -2.078 . . . . 0.0 105.391 -176.728 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.7 tt0 87.0 34.49 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 -176.115 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.8 p-10 42.08 61.11 2.05 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 113.433 -1.712 . . . . 0.0 110.072 -177.223 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 51.96 -178.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.195 -179.856 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.571 179.938 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.1 p90 . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.798 0.332 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 23.2 mt -71.44 86.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.389 179.964 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.75 53.42 3.66 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 121.331 -0.462 . . . . 0.0 111.996 -179.972 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -172.98 123.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.765 0.316 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.46 95.09 1.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.539 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.3 pt -147.89 -145.83 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.936 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.86 25.92 5.7 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 -170.361 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.37 88.19 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.111 1 CA-C-N 108.287 -4.051 . . . . 0.0 112.269 -173.915 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.63 44.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.073 -0.564 . . . . 0.0 110.628 -179.506 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.21 -94.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.87 0.731 . . . . 0.0 110.541 -179.21 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 13.5 m80 -53.82 -6.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.782 179.782 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -66.19 -0.18 7.2 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 119.994 -1.098 . . . . 0.0 110.517 179.179 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -165.34 -27.1 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.586 -0.605 . . . . 0.0 111.586 179.882 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -68.34 -38.26 81.33 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -42.11 -49.59 4.81 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.665 0.269 . . . . 0.0 111.093 179.84 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 28.8 mt -62.46 -85.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 36.5 m80 -159.52 34.55 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.044 0.449 . . . . 0.0 110.319 179.826 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 126.64 -45.36 1.16 Allowed Glycine 0 CA--C 1.508 -0.361 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.301 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 22' ' ' ASN . 4.6 ttp 159.22 86.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.78 -1.21 . . . . 0.0 108.764 178.238 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 16.3 mt 61.04 21.39 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 105.055 -2.202 . . . . 0.0 105.055 -175.978 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.7 tt0 88.77 33.27 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.708 -2.042 . . . . 0.0 105.534 -176.403 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.2 p30 44.41 58.88 3.56 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 113.247 -1.797 . . . . 0.0 110.108 -177.857 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -70.04 84.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.494 179.883 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.7 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.784 0.326 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -48.03 176.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.802 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.43 -11.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -179.962 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . -163.11 -163.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 179.919 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt 60.66 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.794 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.3 mm 49.27 -148.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 -179.561 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 11' ' ' HIS . 4.6 mptp? 53.1 24.77 3.73 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 -170.421 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.621 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.97 82.87 0.01 OUTLIER Glycine 0 N--CA 1.426 -2.015 1 CA-C-N 108.376 -4.011 . . . . 0.0 113.238 -174.445 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 52.74 59.91 4.16 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.19 -0.505 . . . . 0.0 110.805 179.364 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 10' ' ' ILE . 1.7 mt 60.72 7.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.792 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.4 t-80 81.29 23.76 0.29 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.722 179.631 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.48 93.45 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.253 -179.997 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' H ' HG22 ' A' ' 10' ' ' ILE . . . 75.77 53.04 6.06 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.624 -0.59 . . . . 0.0 111.624 -179.629 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -146.39 -13.55 0.46 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.767 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -80.46 -35.27 35.1 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.047 0.451 . . . . 0.0 109.804 179.66 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -143.22 54.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.921 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -141.92 -31.04 0.56 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.114 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 19' ' ' MET . . . -46.98 -29.29 4.45 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 178.899 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 1.1 mtt 153.92 13.77 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.6 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -179.31 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp 61.59 -7.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 N-CA-C 104.96 -2.237 . . . . 0.0 104.96 -174.16 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 32.5 mt-30 -122.53 -12.17 8.19 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.726 179.954 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 62.8 t30 -116.97 -30.95 5.55 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.741 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 34.4 p80 40.56 26.72 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.201 179.829 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 22' ' ' ASN . 7.7 t60 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.448 -179.774 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt -74.6 159.97 31.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.418 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.12 -29.4 74.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.783 179.91 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.77 142.1 37.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.812 0.339 . . . . 0.0 110.61 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tp -90.29 52.09 2.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.455 179.919 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.586 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.5 mt 51.35 -140.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.682 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.765 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm 53.69 25.77 5.31 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 102.389 -3.189 . . . . 0.0 102.389 -170.38 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.586 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.61 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.142 1 CA-C-N 108.317 -4.038 . . . . 0.0 112.431 -173.962 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.12 59.59 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.136 -0.532 . . . . 0.0 110.6 -179.962 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' C ' ' N ' ' A' ' 12' ' ' GLY . 9.4 pt 34.41 79.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.969 179.833 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 46.06 18.33 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 179.279 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 76.58 64.13 2.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.304 -0.474 . . . . 0.0 112.061 179.931 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . 50.58 11.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.274 -0.489 . . . . 0.0 112.264 179.878 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -53.67 5.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 109.927 179.905 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 t80 -63.73 106.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.5 pt 33.28 79.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 123.534 0.521 . . . . 0.0 110.694 -179.266 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -174.61 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.758 . . . . 0.0 108.961 -178.992 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -52.13 -53.56 30.28 Favored Glycine 0 CA--C 1.502 -0.767 0 N-CA-C 108.355 -1.898 . . . . 0.0 108.355 177.737 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.516 ' N ' ' H ' ' A' ' 22' ' ' ASN . 3.1 mtp 171.81 79.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.4 -1.4 . . . . 0.0 109.485 176.157 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.4 mt 63.28 17.38 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -176.96 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 30.2 tt0 96.82 32.86 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 112.136 -2.302 . . . . 0.0 105.677 -177.04 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' H ' ' N ' ' A' ' 19' ' ' MET . 31.0 t30 44.64 48.2 8.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 113.804 -1.543 . . . . 0.0 109.896 -178.173 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -75.8 151.66 37.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.222 -1.353 . . . . 0.0 110.438 179.895 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.939 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.74 0.305 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -163.77 176.24 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . 157.9 15.64 0.04 OUTLIER Glycine 0 C--N 1.332 0.323 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 -179.807 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -165.51 -27.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.551 -179.882 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.7 mp -77.14 -9.11 58.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.594 ' C ' ' N ' ' A' ' 8' ' ' GLY . 14.7 pt -76.77 -150.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.823 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptp 55.25 25.67 7.64 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 -170.385 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.21 84.44 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.229 -4.078 . . . . 0.0 112.193 -173.845 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.68 49.78 9.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.386 -179.589 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mp 71.7 -50.04 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 83.6 t60 -171.54 3.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.382 . . . . 0.0 110.044 179.918 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.95 19.73 3.94 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.791 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.41 72.44 0.62 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.191 -0.528 . . . . 0.0 111.841 -179.861 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -170.14 -18.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.864 0.364 . . . . 0.0 110.043 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -49.09 -22.49 0.95 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.342 179.801 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -134.07 -72.02 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.445 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -170.77 73.94 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.495 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 63.53 52.46 46.11 Favored Glycine 0 C--O 1.209 -1.419 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -178.819 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.842 ' C ' ' H ' ' A' ' 21' ' ' GLN . 11.6 ttt 43.68 16.43 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.273 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.5 mp 59.38 -9.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -175.552 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.842 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.7 tt0 -103.8 -44.78 4.97 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.058 179.078 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.585 ' N ' ' O ' ' A' ' 18' ' ' GLY . 36.3 m-80 -80.65 -27.26 37.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 177.401 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 18' ' ' GLY . 51.9 t-80 55.34 -87.08 0.02 OUTLIER 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.662 179.612 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ASN . 9.1 t-80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.508 -179.818 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.762 0.315 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 2' ' ' LEU . 8.2 mp -67.53 161.39 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.08 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.58 33.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 179.989 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -169.22 -29.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.721 0.296 . . . . 0.0 110.486 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.7 mp -76.31 16.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 -179.927 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.604 ' C ' ' N ' ' A' ' 8' ' ' GLY . 17.4 pt -145.94 -151.4 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 179.798 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm 55.23 25.86 7.8 Favored 'General case' 0 C--N 1.346 0.433 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 -170.219 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.19 84.08 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.146 1 CA-C-N 108.188 -4.096 . . . . 0.0 112.467 -174.204 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 49.55 46.24 23.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.198 -0.501 . . . . 0.0 110.823 179.851 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 72.03 -47.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 123.598 0.561 . . . . 0.0 110.266 179.723 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' H ' ' H ' ' A' ' 12' ' ' GLY . 54.3 t-80 -156.07 -13.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.119 0.485 . . . . 0.0 109.831 -179.633 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' A' ' 11' ' ' HIS . . . 132.09 32.4 0.45 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.0 59.37 10.56 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -53.27 1.4 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.564 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 21' ' ' GLN . 38.1 t80 -61.91 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.874 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' ILE . 17.4 tt -88.12 65.09 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.255 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -153.87 -61.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.238 -179.326 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.43 -63.42 4.7 Favored Glycine 0 CA--C 1.502 -0.742 0 N-CA-C 107.736 -2.146 . . . . 0.0 107.736 177.258 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.2 mtt 172.07 84.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.023 -1.088 . . . . 0.0 109.986 176.248 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.1 18.18 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -177.345 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 15' ' ' PHE . 6.9 tt0 98.05 30.81 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 112.459 -2.155 . . . . 0.0 106.005 -176.898 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 t30 45.38 46.08 10.34 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.424 -177.802 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . 85.1 m-70 58.31 154.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.412 -179.666 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.5 t60 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.545 -179.935 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.41 132.71 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.571 179.976 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.26 -30.98 72.17 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.201 -179.8 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.58 -174.44 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.724 -179.892 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -77.47 85.17 3.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 7' ' ' LYS . 4.0 mm -87.27 -143.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.786 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.249 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.661 ' H ' HG22 ' A' ' 6' ' ' ILE . 26.0 mtmm 52.75 25.64 3.95 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 102.607 -3.108 . . . . 0.0 102.607 -170.653 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.82 71.35 0.12 Allowed Glycine 0 N--CA 1.423 -2.233 1 CA-C-N 108.178 -4.101 . . . . 0.0 112.469 -173.903 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 75.4 70.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.179 -0.51 . . . . 0.0 110.208 -179.888 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 12' ' ' GLY . 2.8 pt 33.16 -100.95 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.203 179.614 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' C ' ' N ' ' A' ' 13' ' ' GLY . 5.0 p-80 -40.65 -16.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.712 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . -48.97 -14.75 0.46 Allowed Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.409 -0.9 . . . . 0.0 111.127 178.976 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 11' ' ' HIS . . . -158.98 -37.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -47.83 -52.66 18.2 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -49.79 -28.99 7.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.728 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 pt -124.14 36.06 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.864 0.364 . . . . 0.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.3 -33.36 0.9 Allowed 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.858 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.15 -45.7 43.04 Favored Glycine 0 C--N 1.337 0.609 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 177.652 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.873 ' C ' ' H ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER 163.45 18.5 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.599 0 CA-C-N 113.778 -1.211 . . . . 0.0 108.56 179.765 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.5 mp 59.45 -5.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 -174.633 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.873 ' H ' ' C ' ' A' ' 19' ' ' MET . 88.0 mt-30 -131.04 -15.73 3.3 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.317 -1.31 . . . . 0.0 112.443 -179.469 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -105.88 -34.5 7.61 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.476 0.58 . . . . 0.0 109.982 179.761 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CG ' ' N ' ' A' ' 24' ' ' HIS . 1.3 t60 52.69 -106.37 0.29 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.086 179.806 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' N ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 p-80 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 0.0 110.544 179.799 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.312 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.22 -152.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.31 24.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.174 -179.979 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -169.93 -13.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.713 0.292 . . . . 0.0 110.625 179.951 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' H ' ' H ' ' A' ' 4' ' ' ALA . 19.0 mt 53.3 100.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.409 -179.956 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.862 ' C ' ' H ' ' A' ' 8' ' ' GLY . 16.1 pt -149.91 32.53 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.92 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -86.38 28.74 0.82 Allowed 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 100.584 -3.858 . . . . 0.0 100.584 168.067 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.862 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 54.16 74.0 0.35 Allowed Glycine 0 N--CA 1.414 -2.826 0 CA-C-N 108.871 -3.786 . . . . 0.0 111.459 -175.875 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 56.28 68.17 0.9 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.657 -0.772 . . . . 0.0 109.362 -178.937 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 44.54 -98.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.013 -178.946 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 21.2 t-160 -112.28 32.07 5.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.145 0.497 . . . . 0.0 109.829 179.905 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.78 48.5 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.526 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.72 23.91 16.52 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.231 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -88.95 -27.19 21.09 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.813 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -51.82 -45.98 64.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.52 179.761 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 45.3 mt -63.91 -87.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.235 -179.843 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 50.6 m80 -157.81 25.71 0.27 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.021 179.893 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.82 -50.59 0.84 Allowed Glycine 0 CA--C 1.502 -0.752 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.682 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.528 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.0 mtt 170.46 83.82 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.699 -1.251 . . . . 0.0 108.595 178.073 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.685 ' O ' HG22 ' A' ' 20' ' ' ILE . 2.2 mp 61.38 17.51 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 -176.382 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 38.9 tt0 96.07 32.72 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 112.448 -2.16 . . . . 0.0 105.585 -177.076 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' H ' ' N ' ' A' ' 19' ' ' MET . 9.3 t-20 45.01 50.55 9.11 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.765 -178.058 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.64 -64.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.139 -1.392 . . . . 0.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.996 . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.333 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp 59.0 17.5 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.207 179.967 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.39 19.22 39.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.04 -179.887 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -168.6 125.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.518 -179.948 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.02 13.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.939 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.618 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.24 -139.63 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.735 -179.983 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm 53.85 25.66 5.45 Favored 'General case' 0 C--N 1.345 0.413 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 -170.504 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.9 82.05 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.051 1 CA-C-N 108.291 -4.05 . . . . 0.0 112.438 -173.767 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.93 65.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.014 -0.593 . . . . 0.0 110.649 -179.947 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.3 pt 34.58 79.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.845 179.884 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.3 t60 41.65 20.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.35 179.428 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' ILE . . . 52.98 81.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.992 179.921 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.05 78.23 0.09 OUTLIER Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.212 -0.518 . . . . 0.0 111.943 179.952 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' NH2' ' OD1' ' A' ' 22' ' ' ASN . 5.4 tpt85 -171.13 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.892 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -44.25 -38.88 4.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.132 0.492 . . . . 0.0 110.408 179.703 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.5 pt -144.27 61.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.631 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -152.3 -56.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.474 -179.427 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.86 -60.32 9.13 Favored Glycine 0 CA--C 1.504 -0.655 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 177.732 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.95 79.48 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 113.525 -1.337 . . . . 0.0 109.29 176.38 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.3 mt 61.61 16.37 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.452 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 -176.823 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 24.9 tt0 95.73 33.45 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.51 -176.529 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.509 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.0 p-10 43.34 51.14 5.98 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 113.617 -1.629 . . . . 0.0 109.899 -177.925 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 47.38 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 113.805 -1.543 . . . . 0.0 110.812 179.834 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.974 . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt 51.27 -161.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.45 -63.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.017 179.994 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -164.18 -0.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -74.8 13.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.13 179.961 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.0 tt -158.96 -149.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.062 -179.939 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.718 ' N ' HG23 ' A' ' 6' ' ' ILE . 43.9 mmtm 54.27 25.87 6.27 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 -170.167 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.69 88.25 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.134 1 CA-C-N 108.371 -4.013 . . . . 0.0 112.305 -174.015 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 37.67 51.78 1.32 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.964 -179.694 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 37.45 -97.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 123.776 0.672 . . . . 0.0 110.683 -179.021 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' GLY . 7.9 p-80 -53.27 -6.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.3 -179.699 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -73.67 6.89 15.69 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.297 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -166.69 -23.41 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -34.34 39.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.71 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -38.87 -54.83 1.6 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 65.6 mt -70.72 -92.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.168 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 39.5 m80 -159.86 58.47 0.37 Allowed 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.867 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.57 56.04 25.42 Favored Glycine 0 CA--C 1.495 -1.211 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 -178.167 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.834 ' C ' ' H ' ' A' ' 21' ' ' GLN . 66.6 mtp 42.62 18.17 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.841 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 20' ' ' ILE . 1.8 mp 58.36 -7.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 -174.845 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.834 ' H ' ' C ' ' A' ' 19' ' ' MET . 0.9 OUTLIER -107.78 -47.38 3.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.331 179.903 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.583 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -76.3 -29.36 57.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 177.683 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.427 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 13.6 t60 55.37 97.28 0.02 OUTLIER 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.548 -179.997 . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.28 145.89 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.517 179.961 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.11 -54.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.01 -179.993 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.59 -5.13 49.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.811 0.339 . . . . 0.0 110.487 179.983 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp 54.19 83.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.718 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.0 tt -149.68 -152.17 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.718 ' N ' HG23 ' A' ' 6' ' ' ILE . 77.7 tttt 56.13 25.71 9.35 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 101.977 -3.342 . . . . 0.0 101.977 -170.17 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.45 83.91 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.208 1 CA-C-N 108.391 -4.004 . . . . 0.0 112.414 -174.186 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.64 70.8 0.53 Allowed 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.112 -0.544 . . . . 0.0 110.099 -179.84 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.25 -67.04 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 O-C-N 123.845 0.716 . . . . 0.0 109.789 -179.563 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 13.3 t-80 -155.2 2.17 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.62 37.98 1.12 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.691 -179.946 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.84 74.26 0.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.182 -0.533 . . . . 0.0 111.938 -179.958 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 16' ' ' ILE . 18.3 tpt180 -166.94 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.891 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.73 -11.82 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' N ' ' C ' ' A' ' 14' ' ' ARG . 6.8 mt -144.19 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.06 179.597 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.33 71.07 0.16 Allowed 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.548 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.572 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 62.03 52.77 47.74 Favored Glycine 0 CA--C 1.491 -1.458 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -178.823 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.836 ' C ' ' H ' ' A' ' 21' ' ' GLN . 9.9 ttt 44.91 14.83 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.658 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 58.84 -9.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -175.363 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.836 ' H ' ' C ' ' A' ' 19' ' ' MET . 5.5 tp-100 -105.86 -40.39 5.73 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.383 179.424 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 18' ' ' GLY . 3.0 m120 -84.82 -31.5 23.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 177.62 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 77.1 t60 53.8 8.32 0.15 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.902 179.672 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' ASN . 59.5 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.704 0.288 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 082 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 2' ' ' LEU . 8.9 mp -67.23 169.76 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.036 179.915 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.51 41.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.991 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.411 ' H ' ' H ' ' A' ' 5' ' ' LEU . . . -170.28 -3.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.498 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' ' H ' ' A' ' 4' ' ' ALA . 13.3 mt 54.98 105.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 179.959 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 ' C ' ' N ' ' A' ' 8' ' ' GLY . 10.8 pt -96.84 -147.05 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.418 179.788 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 54.36 25.71 6.25 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 102.282 -3.229 . . . . 0.0 102.282 -169.898 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.91 83.25 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.042 0 CA-C-N 108.52 -3.945 . . . . 0.0 112.033 -173.646 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.43 69.6 0.72 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.829 -179.118 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 66.65 -69.63 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 O-C-N 123.709 0.63 . . . . 0.0 109.591 -179.399 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.539 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.9 t-80 -151.62 1.97 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.947 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.25 15.5 3.39 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.415 -179.811 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.68 60.59 8.23 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.89 -179.913 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -161.9 -10.99 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.666 0.27 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' CE2' ' NE2' ' A' ' 24' ' ' HIS . 46.5 t80 -86.06 -35.87 20.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.877 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.8 pt -155.97 64.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.949 -1.023 . . . . 0.0 108.342 178.629 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -152.16 -23.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.788 -179.134 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.07 -54.03 33.8 Favored Glycine 0 CA--C 1.499 -0.929 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 178.399 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.845 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.7 tpt -177.24 19.22 0.0 OUTLIER 'General case' 0 CA--C 1.483 -1.631 0 CA-C-N 113.376 -1.412 . . . . 0.0 108.793 179.218 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.2 mm 61.98 -6.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -173.385 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.845 ' H ' ' C ' ' A' ' 19' ' ' MET . 39.5 tt0 -133.27 -17.6 2.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.322 -179.832 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -107.15 -11.42 15.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.068 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' CG ' ' H ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -38.93 -91.8 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.134 179.412 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' H ' ' CG ' ' A' ' 23' ' ' HIS . 25.0 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.781 0.324 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 083 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.5 mt -75.02 164.54 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.911 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.1 -47.34 54.18 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.024 -179.94 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.3 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 tp 62.74 16.06 8.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.109 -179.936 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt 50.08 -140.87 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.711 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.3 mttp 53.86 25.75 5.54 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 102.384 -3.191 . . . . 0.0 102.384 -170.396 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.44 84.37 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.106 1 CA-C-N 108.263 -4.062 . . . . 0.0 112.268 -173.741 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 60.58 42.51 13.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.037 -0.581 . . . . 0.0 110.491 -179.673 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 72.92 -29.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CG ' ' CZ ' ' A' ' 15' ' ' PHE . 80.7 t60 -166.04 -27.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 152.69 -27.41 0.84 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 179.94 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.38 43.23 0.12 Allowed Glycine 0 CA--C 1.508 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.622 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 54.6 mtp180 53.94 25.49 5.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 119.569 -0.852 . . . . 0.0 108.966 179.973 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CZ ' ' CG ' ' A' ' 11' ' ' HIS . 52.7 m-85 56.58 75.83 0.33 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -178.529 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 6.6 mm 77.16 -38.41 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.325 -179.172 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 2.3 m80 157.76 61.94 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 O-C-N 123.386 0.428 . . . . 0.0 109.933 -179.92 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.622 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 104.76 -33.94 6.18 Favored Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -178.81 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ASN . 21.9 ttt 144.03 90.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.664 -1.268 . . . . 0.0 111.456 177.511 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 mt 58.82 24.28 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -177.711 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' MET . 27.7 mt-30 84.06 38.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 112.517 -2.129 . . . . 0.0 105.34 -175.88 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' MET . 3.5 p30 37.82 60.4 1.18 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 113.525 -1.671 . . . . 0.0 110.54 -177.26 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -59.54 -50.02 75.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.648 -179.907 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 24' ' ' HIS . 3.2 t60 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.884 0.374 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 084 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 2' ' ' LEU . 1.9 tt -71.94 85.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 -179.951 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -98.68 86.35 0.74 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.889 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.17 -89.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.332 . . . . 0.0 110.539 179.893 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.0 mp -54.08 -13.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.202 -179.971 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.1 pt -146.39 -148.72 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 -179.818 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.7 tttm 55.74 25.29 8.14 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 102.221 -3.252 . . . . 0.0 102.221 -170.043 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.07 71.02 0.13 Allowed Glycine 0 N--CA 1.425 -2.096 1 CA-C-N 108.29 -4.05 . . . . 0.0 112.345 -174.448 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 70.79 72.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.603 -179.641 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt 39.97 -120.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.226 -179.097 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 2.9 t60 -84.08 34.97 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.702 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 65.89 38.98 94.78 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.156 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.24 62.26 6.05 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.219 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' H ' ' H ' ' A' ' 15' ' ' PHE . 11.4 tpp180 -157.2 -18.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.858 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' H ' ' H ' ' A' ' 14' ' ' ARG . 45.4 t80 -46.55 -37.88 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.794 HG23 ' H ' ' A' ' 17' ' ' HIS . 17.5 tt -114.94 -68.27 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 119.273 -0.394 . . . . 0.0 111.693 -179.434 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.794 ' H ' HG23 ' A' ' 16' ' ' ILE . 43.5 m-70 -165.21 47.4 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.665 -179.429 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 113.02 -36.34 4.13 Favored Glycine 0 N--CA 1.463 0.487 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.4 ttt 147.32 88.81 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.42 1.088 . . . . 0.0 109.69 178.207 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' H ' ' CG2' ' A' ' 16' ' ' ILE . 11.8 mt 60.47 22.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 -176.558 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 26.1 tt0 87.38 34.63 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.165 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' MET . 21.4 t-20 42.18 60.9 2.14 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.917 -177.202 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -60.42 -67.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.644 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.6 t60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.487 -179.862 . . . . . . . . 0 0 . 1 . 085 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 78.5 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.792 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 mt 53.64 -157.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.42 5.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.155 179.984 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -60.77 -149.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.771 0.32 . . . . 0.0 110.497 179.947 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.3 23.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.588 ' C ' ' N ' ' A' ' 8' ' ' GLY . 1.8 mt 50.31 -143.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.739 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.762 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 53.65 25.65 5.14 Favored 'General case' 0 C--N 1.346 0.42 0 N-CA-C 102.323 -3.214 . . . . 0.0 102.323 -170.461 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.73 86.82 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.049 1 CA-C-N 108.315 -4.039 . . . . 0.0 112.262 -173.829 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 54.03 39.93 31.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.508 -179.672 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER 76.73 -37.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.689 179.702 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -167.25 -1.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.086 -179.722 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 89.95 40.82 5.77 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 179.839 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' C ' ' N ' ' A' ' 15' ' ' PHE . . . 163.92 7.28 0.04 OUTLIER Glycine 0 CA--C 1.505 -0.54 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.319 179.919 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 32.4 mtm-85 55.08 19.0 2.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 -179.655 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CB ' ' A' ' 16' ' ' ILE . 34.6 t80 63.27 41.28 7.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.822 -179.527 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 27.1 mt 110.5 -36.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 124.928 1.392 . . . . 0.0 110.606 179.325 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER 162.55 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 120.643 0.258 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 112.99 -40.46 2.52 Favored Glycine 0 CA--C 1.496 -1.125 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.062 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ASN . 4.1 mtp 157.65 86.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.869 -1.665 . . . . 0.0 110.021 177.9 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 60.94 18.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -177.802 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.7 tt0 92.75 34.84 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 112.49 -2.141 . . . . 0.0 105.292 -176.346 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' MET . 13.6 p30 41.28 54.33 3.48 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 113.616 -1.629 . . . . 0.0 110.033 -177.515 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 53.06 89.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.897 -1.502 . . . . 0.0 110.506 -179.924 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 -179.983 . . . . . . . . 0 0 . 1 . 086 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.795 0.331 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 086 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.25 -17.42 63.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.485 -179.948 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.76 37.12 51.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.097 -0.573 . . . . 0.0 111.87 180.0 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.41 -85.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.6 mt -74.34 77.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.57 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.5 pt -127.72 -148.86 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 55.14 25.82 7.6 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 102.008 -3.331 . . . . 0.0 102.008 -170.317 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.85 94.65 0.01 OUTLIER Glycine 0 N--CA 1.423 -2.187 1 CA-C-N 108.334 -4.03 . . . . 0.0 112.164 -173.955 . . . . . . . . 3 3 . 1 . 086 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 43.17 50.17 5.65 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.162 -0.519 . . . . 0.0 110.147 -179.281 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 35.49 -97.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 124.042 0.839 . . . . 0.0 110.706 -178.89 . . . . . . . . 3 3 . 1 . 086 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' GLY . 14.3 m-70 -55.4 -3.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.314 -179.796 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -74.9 7.6 20.18 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -170.69 -26.34 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.903 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -68.17 -52.9 29.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.78 0.324 . . . . 0.0 110.184 179.848 . . . . . . . . 3 3 . 1 . 086 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -40.62 90.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.538 -179.902 . . . . . . . . 1 1 . 1 . 086 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' ARG . 25.9 pt 33.07 59.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.025 179.361 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' GLY . 83.9 t60 -163.8 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.752 179.642 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLY . . . -143.42 50.14 0.69 Allowed Glycine 0 C--N 1.329 0.194 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 179.519 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.843 ' N ' ' H ' ' A' ' 22' ' ' ASN . 23.0 ttt -177.27 -58.47 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.647 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp -67.4 -7.82 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 172.664 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.586 ' H ' ' H ' ' A' ' 19' ' ' MET . 9.1 tp-100 -122.27 -24.98 4.93 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 111.989 -2.368 . . . . 0.0 108.029 176.998 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.843 ' H ' ' N ' ' A' ' 19' ' ' MET . 5.3 t-20 -114.92 23.21 12.77 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.634 179.459 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.573 ' N ' ' O ' ' A' ' 19' ' ' MET . 9.6 m-70 46.54 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 086 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.866 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CE2' ' O ' ' A' ' 2' ' ' LEU . 70.0 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -87.91 158.29 18.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.1 179.973 . . . . . . . . 3 3 . 1 . 087 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 4' ' ' ALA . . . -178.33 -6.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.81 -0.516 . . . . 0.0 111.81 -179.992 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' H ' ' H ' ' A' ' 3' ' ' GLY . . . -170.59 9.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.58 -37.43 87.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.078 -179.906 . . . . . . . . 3 3 . 1 . 087 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -110.23 -142.69 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.505 -0.771 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 6' ' ' ILE . 53.3 mttm 53.43 25.89 5.02 Favored 'General case' 0 C--N 1.346 0.453 0 N-CA-C 102.435 -3.172 . . . . 0.0 102.435 -170.439 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.7 75.36 0.05 OUTLIER Glycine 0 N--CA 1.427 -1.937 1 CA-C-N 108.311 -4.04 . . . . 0.0 111.974 -173.493 . . . . . . . . 3 3 . 1 . 087 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.55 69.71 0.63 Allowed 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.005 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.5 mt 67.37 -70.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.859 0.725 . . . . 0.0 109.292 -178.72 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' N ' HG22 ' A' ' 10' ' ' ILE . 18.7 t-80 -155.64 4.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.698 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.13 35.98 2.42 Favored Glycine 0 N--CA 1.46 0.279 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.787 -179.944 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.34 65.13 2.46 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.167 -0.54 . . . . 0.0 111.836 -179.928 . . . . . . . . 1 1 . 1 . 087 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' C ' ' N ' ' A' ' 16' ' ' ILE . 9.4 tpt180 -157.01 -18.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.893 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 62.2 t80 -48.6 -16.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.387 179.74 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' N ' ' C ' ' A' ' 14' ' ' ARG . 4.4 mt -145.88 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.568 179.551 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.28 67.74 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.111 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 22' ' ' ASN . . . 61.75 55.36 28.98 Favored Glycine 0 CA--C 1.493 -1.34 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 -178.275 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.876 ' C ' ' H ' ' A' ' 21' ' ' GLN . 39.5 mtt 43.42 15.14 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.897 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 18' ' ' GLY . 1.7 mp 58.38 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.786 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.876 ' H ' ' C ' ' A' ' 19' ' ' MET . 57.1 tp60 -109.29 -40.52 4.9 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.585 179.909 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 18' ' ' GLY . 16.1 t30 -84.09 -31.13 25.47 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.858 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' GLY . 80.0 t60 46.98 95.6 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.802 179.793 . . . . . . . . 2 2 . 1 . 087 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.564 179.983 . . . . . . . . 0 0 . 1 . 088 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.5 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 088 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.36 -41.43 89.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.05 -57.54 4.85 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 -179.727 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.27 -165.56 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.812 0.339 . . . . 0.0 110.313 179.854 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -135.28 56.16 1.85 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.194 179.885 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.1 mt -136.38 -142.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt 53.75 25.71 5.35 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 -170.479 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.49 84.86 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.121 1 CA-C-N 108.247 -4.069 . . . . 0.0 112.655 -173.932 . . . . . . . . 3 3 . 1 . 088 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.08 70.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.025 -0.588 . . . . 0.0 110.036 -179.786 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.24 -68.71 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 O-C-N 123.787 0.679 . . . . 0.0 109.629 -179.299 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 57.3 t-80 -153.82 1.95 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.77 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.52 19.35 57.79 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.24 -179.437 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.51 -35.09 0.02 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 121.431 -0.414 . . . . 0.0 112.094 -179.766 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -82.59 -24.83 33.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.628 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -46.09 -56.02 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.829 179.737 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.0 -85.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.115 -179.902 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 11.8 t-80 -162.56 25.76 0.1 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.028 -0.669 . . . . 0.0 111.38 179.703 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.69 -52.95 0.7 Allowed Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -179.663 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 22' ' ' ASN . 1.5 mtt 170.89 82.83 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 113.659 -1.271 . . . . 0.0 108.67 177.636 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.8 mt 62.32 17.78 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -176.411 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 10.6 tt0 95.87 30.9 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 112.37 -2.196 . . . . 0.0 105.972 -176.787 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 19' ' ' MET . 27.6 t-20 46.75 49.84 13.8 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.533 -178.242 . . . . . . . . 2 2 . 1 . 088 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -56.62 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.647 -179.826 . . . . . . . . 1 1 . 1 . 088 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.55 -179.937 . . . . . . . . 0 0 . 1 . 089 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.781 0.324 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 089 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 mt -65.91 -24.08 66.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.15 -39.51 1.41 Allowed Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.892 -179.935 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.16 -176.68 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.94 103.73 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 -179.94 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.592 ' C ' ' N ' ' A' ' 8' ' ' GLY . 18.2 pt -146.88 -149.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.308 179.745 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt 53.86 25.87 5.66 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 -170.447 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.41 79.29 0.03 OUTLIER Glycine 0 N--CA 1.423 -2.179 1 CA-C-N 108.259 -4.064 . . . . 0.0 112.255 -173.769 . . . . . . . . 3 3 . 1 . 089 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.42 68.05 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.142 -0.529 . . . . 0.0 109.8 -179.494 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 67.0 -68.22 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.706 0.629 . . . . 0.0 109.587 -179.28 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.526 ' N ' HG22 ' A' ' 10' ' ' ILE . 63.1 m-70 -150.09 -0.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.703 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.97 20.87 1.13 Allowed Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.505 -179.967 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 61.61 5.97 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 -179.779 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.16 -37.82 0.06 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.916 0.388 . . . . 0.0 109.964 -179.682 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -52.28 -34.31 46.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.4 mm -78.62 -81.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 39.9 t-80 -162.04 44.4 0.15 Allowed 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.565 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 77.88 68.42 1.51 Allowed Glycine 0 CA--C 1.49 -1.484 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -178.961 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.866 ' C ' ' H ' ' A' ' 21' ' ' GLN . 8.1 ttt 39.59 15.35 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 179.729 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.612 ' N ' ' O ' ' A' ' 18' ' ' GLY . 9.3 mm 57.38 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 105.993 -1.854 . . . . 0.0 105.993 -173.935 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.866 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.6 tt0 -133.87 -22.69 1.83 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.156 -178.907 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 18' ' ' GLY . 49.9 t-20 -85.79 -32.62 21.71 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 178.11 . . . . . . . . 2 2 . 1 . 089 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 58.04 -79.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.62 179.086 . . . . . . . . 1 1 . 1 . 089 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASN . 8.4 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 090 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.7 mp -65.59 -93.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.158 179.935 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.93 39.5 94.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.052 179.888 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.39 -49.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -70.88 -4.46 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.663 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.4 tt -160.19 -149.37 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.124 179.968 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.663 ' N ' HG23 ' A' ' 6' ' ' ILE . 66.1 mmtt 55.12 25.96 7.72 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 102.086 -3.301 . . . . 0.0 102.086 -169.966 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.53 76.92 0.04 OUTLIER Glycine 0 N--CA 1.428 -1.87 0 CA-C-N 108.495 -3.957 . . . . 0.0 112.073 -173.818 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.11 70.89 0.6 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.08 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 11' ' ' HIS . 4.0 mt 67.34 -72.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.914 0.759 . . . . 0.0 109.299 -178.661 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.537 ' N ' HG22 ' A' ' 10' ' ' ILE . 10.0 t60 -156.8 7.16 0.18 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.824 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.17 28.91 4.47 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.169 -179.555 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.88 16.66 59.71 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.681 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -83.18 -18.91 37.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.833 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -48.19 -36.85 14.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.146 179.493 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.0 mm -85.5 -79.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.516 179.175 . . . . . . . . 1 1 . 1 . 090 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 1.5 t60 -173.81 50.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.354 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 115.58 -37.99 3.26 Favored Glycine 0 C--N 1.336 0.528 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.277 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' ASN . 7.8 tpt 143.95 88.32 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.878 1.271 . . . . 0.0 109.519 178.11 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 7.7 mt 61.46 21.88 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -176.252 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 29.8 tt0 87.81 31.97 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 -176.195 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' H ' ' C ' ' A' ' 19' ' ' MET . 22.2 t30 45.2 61.63 2.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 113.508 -1.678 . . . . 0.0 109.702 -177.42 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 64.0 t-80 -72.95 161.36 30.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.742 -179.821 . . . . . . . . 2 2 . 1 . 090 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 12.6 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' LEU . 51.8 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -46.81 174.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.036 -179.851 . . . . . . . . 3 3 . 1 . 091 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.89 -12.3 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.171 -179.888 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.02 94.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.4 tp -172.06 -29.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.177 179.833 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' C ' ' N ' ' A' ' 8' ' ' GLY . 27.6 pt -108.93 -146.0 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.694 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 53.88 25.97 5.76 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 102.215 -3.254 . . . . 0.0 102.215 -170.269 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.614 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.87 78.53 0.03 OUTLIER Glycine 0 N--CA 1.425 -2.095 1 CA-C-N 108.348 -4.024 . . . . 0.0 112.298 -174.016 . . . . . . . . 3 3 . 1 . 091 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.93 70.79 0.61 Allowed 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.077 -0.562 . . . . 0.0 109.87 -179.686 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.5 mp 67.58 -67.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 123.905 0.753 . . . . 0.0 109.687 -179.372 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' ILE . 59.3 t-80 -154.64 0.57 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.798 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 46.56 1.37 Allowed Glycine 0 C--N 1.332 0.337 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.712 179.987 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.05 71.49 0.56 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.175 -0.536 . . . . 0.0 111.821 -179.927 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 15' ' ' PHE . 12.0 tpt180 -160.82 -15.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.794 0.331 . . . . 0.0 110.205 -179.728 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' H ' ' H ' ' A' ' 14' ' ' ARG . 32.5 t80 -94.94 -16.29 22.93 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.826 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -152.59 46.71 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.549 179.488 . . . . . . . . 3 3 . 1 . 091 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -141.18 -29.02 0.66 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.486 -179.583 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.79 -49.0 42.85 Favored Glycine 0 CA--C 1.501 -0.836 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 178.771 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.8 ' C ' ' H ' ' A' ' 21' ' ' GLN . 19.2 tpp -177.65 17.02 0.0 OUTLIER 'General case' 0 CA--C 1.48 -1.729 0 CA-C-N 113.189 -1.505 . . . . 0.0 108.407 179.459 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.8 mm 62.92 -6.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.08 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -173.177 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.8 ' H ' ' C ' ' A' ' 19' ' ' MET . 38.0 tt0 -135.35 -13.85 2.02 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.808 -179.449 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' HIS . 51.2 t30 -107.57 -24.71 11.67 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.036 0.38 . . . . 0.0 110.038 179.787 . . . . . . . . 2 2 . 1 . 091 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 m170 51.24 -86.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.494 179.957 . . . . . . . . 1 1 . 1 . 091 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' ASN . 23.3 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.506 179.722 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 092 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.0 150.59 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.8 -9.13 4.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.928 179.934 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -72.99 135.61 45.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.851 0.358 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -77.38 34.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 ' N ' ' A' ' 7' ' ' LYS . 2.3 tp -79.96 -150.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.043 179.736 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.711 ' N ' HG23 ' A' ' 6' ' ' ILE . 49.2 mttp 53.3 25.41 4.44 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 102.469 -3.16 . . . . 0.0 102.469 -170.484 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.609 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 36.03 83.42 0.01 OUTLIER Glycine 0 N--CA 1.421 -2.349 1 CA-C-N 108.267 -4.06 . . . . 0.0 112.486 -174.062 . . . . . . . . 3 3 . 1 . 092 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 58.11 61.61 2.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.048 -0.576 . . . . 0.0 111.313 179.815 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.4 pt 34.9 61.11 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.014 179.521 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 48.84 33.76 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 77.75 -18.81 4.52 Favored Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.145 179.902 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 63.17 0.02 OUTLIER Glycine 0 CA--C 1.505 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.45 -179.914 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.608 ' CB ' ' H ' ' A' ' 18' ' ' GLY . 43.8 mtp180 52.81 33.39 14.12 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.317 -0.953 . . . . 0.0 108.534 179.715 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 77.37 -38.51 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.591 -178.214 . . . . . . . . 1 1 . 1 . 092 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -179.35 -20.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.279 . . . . . . . . 3 3 . 1 . 092 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 1.6 m80 163.52 42.72 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.47 179.471 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.608 ' H ' ' CB ' ' A' ' 14' ' ' ARG . . . 121.17 -43.13 1.57 Allowed Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.672 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' N ' ' H ' ' A' ' 22' ' ' ASN . 2.6 mtm 167.63 82.13 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.167 -1.517 . . . . 0.0 108.824 178.676 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 8.5 mt 62.59 16.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 N-CA-C 105.106 -2.183 . . . . 0.0 105.106 -176.562 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 21.0 tt0 95.28 33.51 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 112.41 -2.177 . . . . 0.0 105.642 -176.718 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' H ' ' N ' ' A' ' 19' ' ' MET . 2.7 p-10 43.8 50.53 6.85 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.783 -177.838 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 24.9 p80 40.63 48.45 2.58 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 113.816 -1.538 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 092 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 179.982 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.772 0.32 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 093 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -165.13 178.28 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 179.925 . . . . . . . . 3 3 . 1 . 093 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 167.62 16.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.894 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.48 -17.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.92 -51.03 71.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.166 179.725 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.616 ' C ' ' N ' ' A' ' 8' ' ' GLY . 16.8 pt -84.37 -151.16 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.115 179.519 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm 55.38 25.33 7.5 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 102.142 -3.281 . . . . 0.0 102.142 -170.662 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 35.14 79.15 0.03 OUTLIER Glycine 0 N--CA 1.422 -2.254 1 CA-C-N 108.158 -4.11 . . . . 0.0 112.27 -173.902 . . . . . . . . 3 3 . 1 . 093 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.77 72.25 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.912 -179.648 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 11' ' ' HIS . 2.0 mt 66.5 -70.61 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 123.691 0.619 . . . . 0.0 109.405 -179.504 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.547 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.5 t60 -156.1 5.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 179.943 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.17 21.8 6.13 Favored Glycine 0 C--N 1.332 0.344 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.758 179.973 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.16 95.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.921 179.938 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.6 mmt-85 -134.27 -9.34 2.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.776 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -56.28 -24.71 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.313 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 ' H ' ' A' ' 20' ' ' ILE . 4.6 mp -116.0 -79.29 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.636 179.518 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -170.22 32.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.123 179.426 . . . . . . . . 3 3 . 1 . 093 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.64 -52.8 0.68 Allowed Glycine 0 CA--C 1.504 -0.648 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.414 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.6 mmm 173.26 84.37 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.03 -1.085 . . . . 0.0 108.845 177.536 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 16' ' ' ILE . 6.7 mt 61.9 18.27 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 -176.668 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 27.4 tt0 95.02 33.15 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 112.378 -2.192 . . . . 0.0 105.784 -176.647 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' H ' ' N ' ' A' ' 19' ' ' MET . 3.4 p30 44.56 49.78 8.41 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.659 -1.61 . . . . 0.0 110.034 -178.028 . . . . . . . . 2 2 . 1 . 093 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -52.23 -33.0 39.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.396 -1.274 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 093 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.504 179.987 . . . . . . . . 0 0 . 1 . 094 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 094 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.528 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -51.66 -179.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.908 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -165.76 31.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.927 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -168.91 162.22 11.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.2 mp -78.31 74.51 4.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.429 -179.928 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.612 ' C ' ' N ' ' A' ' 8' ' ' GLY . 3.2 mt 54.68 -137.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.506 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.1 mttt 53.61 25.52 4.98 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 -170.5 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.612 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 31.24 80.03 0.01 OUTLIER Glycine 0 N--CA 1.427 -1.957 1 CA-C-N 108.255 -4.066 . . . . 0.0 112.304 -173.744 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.52 71.08 0.54 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.93 -0.635 . . . . 0.0 109.676 -179.454 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.0 OUTLIER 65.92 -71.6 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 123.669 0.606 . . . . 0.0 109.562 -179.295 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.562 ' N ' HG22 ' A' ' 10' ' ' ILE . 14.3 t-80 -145.99 -1.57 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.87 75.74 1.31 Allowed Glycine 0 C--N 1.331 0.268 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.931 179.895 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 46.45 78.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.154 -0.546 . . . . 0.0 112.013 179.987 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -154.75 -56.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.914 0.388 . . . . 0.0 109.994 -179.643 . . . . . . . . 3 3 . 1 . 094 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.4 -22.09 29.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.036 -179.859 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -65.8 -76.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.427 -179.679 . . . . . . . . 1 1 . 1 . 094 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' A' ' 17' ' ' HIS . 81.2 t60 -156.07 35.37 0.34 Allowed 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.588 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' O ' ' N ' ' A' ' 20' ' ' ILE . . . 79.33 71.48 1.25 Allowed Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 -178.833 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.863 ' C ' ' H ' ' A' ' 21' ' ' GLN . 10.3 ttt 39.83 15.88 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 114.38 -0.91 . . . . 0.0 113.291 -179.916 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.4 mp 56.9 -4.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -173.994 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.863 ' H ' ' C ' ' A' ' 19' ' ' MET . 16.4 tt0 -134.69 -22.85 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.373 -178.855 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 18' ' ' GLY . 39.6 t-20 -84.24 -36.58 22.61 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 178.336 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' N ' ' HA3' ' A' ' 18' ' ' GLY . 12.2 m170 61.43 -179.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.546 179.26 . . . . . . . . 2 2 . 1 . 094 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 -179.995 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 095 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 2' ' ' LEU . 8.7 mp -69.79 175.07 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.133 -179.877 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.6 36.28 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.02 -179.964 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . 56.16 -158.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.522 179.963 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 mt 56.05 21.78 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.501 -179.857 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.722 HG23 ' N ' ' A' ' 7' ' ' LYS . 5.4 tt -147.24 -152.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.633 179.585 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' N ' HG23 ' A' ' 6' ' ' ILE . 52.1 mtpt 53.66 25.84 5.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 102.364 -3.198 . . . . 0.0 102.364 -170.348 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.565 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 34.28 68.49 0.21 Allowed Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.272 -4.058 . . . . 0.0 112.02 -173.873 . . . . . . . . 3 3 . 1 . 095 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 73.94 73.81 0.12 Allowed 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.097 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD13 ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER 35.18 -121.36 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.667 -178.656 . . . . . . . . 3 3 . 1 . 095 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 10.9 t-160 -79.93 36.95 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.127 179.717 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.76 33.11 63.42 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.494 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.4 46.6 32.46 Favored Glycine 0 N--CA 1.45 -0.427 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.64 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -142.14 -11.98 0.84 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.542 0.21 . . . . 0.0 110.667 -179.897 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -74.14 -39.05 63.55 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.838 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 16' ' ' ILE . 13.5 tt -162.33 79.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 114.506 -1.225 . . . . 0.0 108.15 179.059 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -163.29 -53.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.448 -178.677 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.56 -62.73 5.67 Favored Glycine 0 CA--C 1.503 -0.697 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 177.482 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' C ' ' H ' ' A' ' 22' ' ' ASN . 2.9 mtt 168.45 80.76 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 113.601 -1.299 . . . . 0.0 109.609 176.141 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 5.8 mt 60.66 16.35 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 -177.054 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.6 tt0 97.7 32.47 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 112.514 -2.13 . . . . 0.0 105.595 -176.814 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 19' ' ' MET . 4.3 t-20 43.78 48.58 6.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.868 -1.514 . . . . 0.0 109.596 -177.78 . . . . . . . . 2 2 . 1 . 095 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -78.73 -2.58 40.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 113.744 -1.571 . . . . 0.0 110.63 -179.94 . . . . . . . . 1 1 . 1 . 095 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' HIS . 42.5 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.404 ' C ' ' N ' ' A' ' 3' ' ' GLY . 74.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.318 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 2.4 mm? 51.63 14.38 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.13 -179.91 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 1' ' ' PHE . . . 72.32 -80.98 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.019 179.989 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.98 135.47 36.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.497 -179.898 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.62 70.73 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 179.891 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' C ' ' N ' ' A' ' 8' ' ' GLY . 36.2 pt -139.55 -142.91 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.699 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.607 179.997 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 53.59 25.85 5.23 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 102.347 -3.205 . . . . 0.0 102.347 -170.465 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.03 83.36 0.01 OUTLIER Glycine 0 N--CA 1.424 -2.14 0 CA-C-N 108.408 -3.996 . . . . 0.0 112.413 -173.963 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 54.28 45.27 27.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.106 -0.547 . . . . 0.0 110.615 -179.871 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 74.53 -41.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.82 179.862 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 81.6 t60 -173.61 3.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.198 0.523 . . . . 0.0 109.59 -179.811 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 124.18 17.79 2.94 Favored Glycine 0 C--N 1.334 0.437 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.349 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.03 67.84 1.96 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.521 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -167.61 -13.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 096 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -75.14 -27.29 59.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.718 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 20' ' ' ILE . 15.7 pt -156.42 52.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.197 178.807 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -140.12 -25.92 0.79 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.482 -179.565 . . . . . . . . 3 3 . 1 . 096 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.86 -43.92 12.65 Favored Glycine 0 CA--C 1.503 -0.679 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 178.249 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.804 ' C ' ' H ' ' A' ' 21' ' ' GLN . 7.6 tpt -177.89 14.93 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.704 0 CA-C-N 112.841 -1.679 . . . . 0.0 107.635 179.46 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' H ' ' H ' ' A' ' 19' ' ' MET . 8.3 mm 63.69 -6.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.041 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -172.866 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.804 ' H ' ' C ' ' A' ' 19' ' ' MET . 29.3 mt-30 -136.42 -8.36 1.96 Allowed 'General case' 0 C--N 1.359 0.993 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.776 -179.523 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 24' ' ' HIS . 7.9 t-20 -115.13 -15.84 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.554 . . . . . . . . 2 2 . 1 . 096 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 m170 42.21 -92.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 179.687 . . . . . . . . 1 1 . 1 . 096 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ASN . 2.0 p80 . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.446 -179.947 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 097 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.3 mp -61.16 -88.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.081 -179.959 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.06 42.69 96.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.081 179.926 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' ILE . . . -163.33 -58.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.48 35.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.785 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.882 ' C ' ' H ' ' A' ' 8' ' ' GLY . 21.9 pt -154.4 31.09 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.897 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -85.09 27.99 0.74 Allowed 'General case' 0 C--O 1.231 0.125 0 N-CA-C 100.908 -3.738 . . . . 0.0 100.908 168.279 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.882 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 56.2 84.61 0.03 OUTLIER Glycine 0 N--CA 1.412 -2.904 0 CA-C-N 108.815 -3.811 . . . . 0.0 111.808 -176.288 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 42.52 44.51 3.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 114.853 -0.674 . . . . 0.0 110.616 -179.384 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.3 pt 36.69 -94.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 O-C-N 123.984 0.802 . . . . 0.0 110.563 -179.29 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' C ' ' H ' ' A' ' 13' ' ' GLY . 18.7 m80 -52.39 -7.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.914 179.732 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 10' ' ' ILE . . . -64.81 -1.16 5.99 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 119.83 -1.176 . . . . 0.0 110.649 179.243 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' HIS . . . -160.67 -30.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.661 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' C ' ' NE ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -62.06 -39.33 92.0 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.683 . . . . . . . . 3 3 . 1 . 097 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -42.26 -53.63 4.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.179 179.75 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.12 -86.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.884 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 60.7 t60 -165.12 38.92 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.117 0.485 . . . . 0.0 110.732 179.47 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 19' ' ' MET . . . 131.63 -47.72 1.0 Allowed Glycine 0 CA--C 1.508 -0.387 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.428 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.541 ' C ' ' H ' ' A' ' 22' ' ' ASN . 5.2 ttt 160.16 86.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 113.987 -1.106 . . . . 0.0 108.955 178.002 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt 61.16 23.89 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 -175.854 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 84.44 34.22 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 112.261 -2.245 . . . . 0.0 105.81 -176.146 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 19' ' ' MET . 12.3 t-20 45.21 60.94 2.76 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 113.246 -1.797 . . . . 0.0 110.241 -178.285 . . . . . . . . 2 2 . 1 . 097 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -68.81 129.49 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 113.947 -1.479 . . . . 0.0 110.418 179.79 . . . . . . . . 1 1 . 1 . 097 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' ND1' ' N ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.446 -179.88 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 098 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.47 93.17 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.67 -73.71 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.899 -179.917 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.58 -42.73 11.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 -179.921 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tt -167.09 -60.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.051 -179.909 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 7' ' ' LYS . 6.6 tt -167.2 -148.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 118.999 -0.524 . . . . 0.0 109.885 179.827 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.741 ' N ' HG23 ' A' ' 6' ' ' ILE . 64.0 mttm 54.04 24.91 5.05 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 102.683 -3.08 . . . . 0.0 102.683 -170.386 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.6 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 33.92 74.82 0.07 OUTLIER Glycine 0 N--CA 1.425 -2.085 1 CA-C-N 108.145 -4.116 . . . . 0.0 111.884 -174.117 . . . . . . . . 3 3 . 1 . 098 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . 67.51 74.25 0.31 Allowed 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 -178.894 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 39.24 -94.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.286 -178.572 . . . . . . . . 3 3 . 1 . 098 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' ALA . 89.9 m-70 -122.27 41.33 3.43 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.611 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . 71.87 41.44 55.54 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -179.548 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.53 26.54 64.65 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.608 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.07 -32.37 10.97 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -49.88 -37.81 32.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.525 179.808 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' HIS . 14.0 mt -67.39 -82.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.097 179.829 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 16' ' ' ILE . 16.5 m-70 -160.81 23.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.647 179.551 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.65 -48.56 0.96 Allowed Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -179.456 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.547 ' N ' ' H ' ' A' ' 22' ' ' ASN . 1.4 mtt 169.75 83.26 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.508 -1.346 . . . . 0.0 108.541 177.668 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 21' ' ' GLN . 6.5 mt 61.8 17.63 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 -176.397 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.475 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 9.7 tt0 95.98 31.87 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 112.503 -2.135 . . . . 0.0 105.856 -176.693 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' ' N ' ' A' ' 19' ' ' MET . 27.4 t-20 45.68 49.43 11.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 113.818 -1.537 . . . . 0.0 109.583 -178.187 . . . . . . . . 2 2 . 1 . 098 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -61.52 121.97 14.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.113 -1.403 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 098 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.503 179.989 . . . . . . . . 0 0 . 1 . 099 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.756 0.313 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 099 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.58 -149.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.463 179.892 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.49 -44.22 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.05 -179.989 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.95 152.18 24.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.322 . . . . 0.0 110.688 -179.866 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.62 43.05 0.39 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.865 -179.986 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 ' C ' ' N ' ' A' ' 8' ' ' GLY . 2.6 mt 51.39 -139.66 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.661 -179.823 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 52.95 25.8 4.25 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 102.437 -3.172 . . . . 0.0 102.437 -170.41 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.581 ' N ' ' C ' ' A' ' 6' ' ' ILE . . . 32.57 84.88 0.01 OUTLIER Glycine 0 N--CA 1.425 -2.055 1 CA-C-N 108.297 -4.047 . . . . 0.0 112.446 -173.831 . . . . . . . . 3 3 . 1 . 099 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 11' ' ' HIS . . . 56.33 55.89 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.088 -0.556 . . . . 0.0 110.515 -179.778 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 75.21 -40.19 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.726 -179.945 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' H ' ' H ' ' A' ' 12' ' ' GLY . 53.9 t60 -175.19 -15.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.854 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . 146.11 22.54 0.11 Allowed Glycine 0 C--N 1.333 0.375 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.763 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.89 65.83 3.26 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 -179.756 . . . . . . . . 1 1 . 1 . 099 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -167.01 -41.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.576 . . . . . . . . 3 3 . 1 . 099 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 86.1 t80 -57.87 88.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.476 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 39.2 pt 37.77 49.56 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 -179.029 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' H ' ' H ' ' A' ' 18' ' ' GLY . 54.3 t60 -160.09 -13.31 0.05 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' A' ' 17' ' ' HIS . . . -142.0 47.57 0.83 Allowed Glycine 0 C--N 1.328 0.125 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.253 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.813 ' N ' ' H ' ' A' ' 22' ' ' ASN . 28.4 ttt -177.14 -57.43 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -178.708 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.3 mp -66.5 -8.62 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 103.313 -2.847 . . . . 0.0 103.313 172.844 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.576 ' N ' ' C ' ' A' ' 19' ' ' MET . 10.5 tp-100 -121.8 -24.69 5.19 Favored 'General case' 0 N--CA 1.431 -1.383 0 CA-C-N 111.914 -2.403 . . . . 0.0 108.071 176.887 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.813 ' H ' ' N ' ' A' ' 19' ' ' MET . 7.3 t30 -115.28 24.19 11.84 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 119.357 -0.937 . . . . 0.0 111.833 179.539 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' MET . 20.4 t-160 -50.74 -66.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.475 179.907 . . . . . . . . 2 2 . 1 . 099 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 179.952 . . . . . . . . 0 0 . 1 . 100 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.3 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 100 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.63 172.1 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 -179.982 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.36 -15.39 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.965 179.99 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.25 -148.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.531 -179.951 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.47 -9.82 58.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.572 -179.957 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.869 ' C ' ' H ' ' A' ' 8' ' ' GLY . 3.2 mm 50.3 34.7 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.674 179.968 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -85.66 28.76 0.74 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 100.803 -3.777 . . . . 0.0 100.803 168.33 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.869 ' H ' ' C ' ' A' ' 6' ' ' ILE . . . 52.57 66.3 2.75 Favored Glycine 0 N--CA 1.412 -2.928 0 CA-C-N 108.905 -3.77 . . . . 0.0 111.624 -175.932 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 8' ' ' GLY . . . 69.62 70.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.546 -0.827 . . . . 0.0 109.605 -179.203 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 11' ' ' HIS . 1.7 mp 67.57 -71.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 123.776 0.673 . . . . 0.0 109.557 -179.166 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.2 t-80 -152.29 0.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.79 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.25 21.14 61.57 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.495 -179.595 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.29 -32.92 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.245 -0.502 . . . . 0.0 111.983 -179.741 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -82.32 -20.21 37.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.199 0.523 . . . . 0.0 109.845 179.719 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -47.43 -55.71 8.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.419 -179.775 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.84 HG23 ' H ' ' A' ' 17' ' ' HIS . 15.4 tt -70.52 -70.27 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.165 -179.249 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.84 ' H ' HG23 ' A' ' 16' ' ' ILE . 55.2 t-80 -165.62 21.46 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.359 179.478 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.68 -49.04 0.94 Allowed Glycine 0 CA--C 1.5 -0.857 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.224 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 167.02 80.11 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 112.987 -1.607 . . . . 0.0 108.525 177.567 . . . . . . . . 3 3 . 1 . 100 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.622 ' H ' HG21 ' A' ' 16' ' ' ILE . 7.6 mt 62.03 16.86 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 N-CA-C 105.266 -2.124 . . . . 0.0 105.266 -176.426 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 20' ' ' ILE . 33.1 tt0 95.04 32.92 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 112.566 -2.106 . . . . 0.0 105.535 -176.57 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 19' ' ' MET . 6.4 p30 44.02 52.31 6.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 113.658 -1.61 . . . . 0.0 109.748 -177.946 . . . . . . . . 2 2 . 1 . 100 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 54.85 -173.34 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.579 180.0 . . . . . . . . 1 1 . 1 . 100 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 179.97 . . . . . . . . 0 0 . 1 stop_ save_