data_1w9n_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1w9n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.424 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . . . -115.06 134.73 54.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 11.01 110.078 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.3 mt -106.51 98.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.133 -0.485 . . . . 9.3399999999999999 110.965 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.592 HG13 ' H ' ' A' ' 7' ' ' DBU . 46.9 t 66.27 116.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.822 0.82 . . . . 6.46 112.347 176.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 2' ' ' ALA . 64.4 mttm -91.87 11.88 23.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 7.54 110.105 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.592 ' H ' HG13 ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.19 118.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.748 -0.66 . . . . 6.3600000000000003 110.553 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -80.75 155.55 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.038 -0.528 . . . . 7.4400000000000004 109.704 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 170.53 0.27 Allowed 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.907 0.754 . . . . 4.8399999999999999 111.29 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -117.9 -36.64 3.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.968 -0.56 . . . . 7.5700000000000003 109.969 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -76.61 83.34 3.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 8.9800000000000004 110.753 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt 65.96 11.08 7.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.767 -0.651 . . . . 6.8099999999999996 112.193 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.6 p -120.16 28.8 7.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 3.2400000000000002 111.258 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -83.77 -0.77 52.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.937 0.399 . . . . 7.9299999999999997 111.377 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.92 -23.38 3.13 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-N 115.703 -0.68 . . . . 4.7599999999999998 113.649 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -84.02 126.24 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.822 0.344 . . . . 6.6200000000000001 110.583 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.78 95.51 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.549 -0.538 . . . . 6.1799999999999997 109.549 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 p -92.24 -63.09 1.28 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.588 -0.733 . . . . 4.7999999999999998 109.462 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.94 52.76 4.6 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.185 -0.766 . . . . 5.9500000000000002 111.185 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.46 136.87 31.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.175 0.512 . . . . 5.75 110.746 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -140.7 45.54 1.81 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.564 -0.902 . . . . 9.2200000000000006 108.564 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -83.85 179.74 7.49 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.266 -0.879 . . . . 11.109999999999999 110.903 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.4 43.66 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.172 -0.771 . . . . 12.81 111.172 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -146.05 150.32 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.345 -0.427 . . . . 16.100000000000001 110.014 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.279 -0.638 . . . . 17.809999999999999 109.279 172.041 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.61 -49.26 4.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 11.01 109.965 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . 0.451 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.532 ' H ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -81.13 16.38 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.571 0.701 . . . . 9.3399999999999999 111.867 -175.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 3' ' ' DHA . 4.4 m -99.81 76.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.406 -0.815 . . . . 6.46 110.906 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -73.92 92.42 2.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.678 -0.692 . . . . 7.54 110.02 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -96.06 114.74 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.148 -0.686 . . . . 6.3600000000000003 109.148 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -77.93 69.68 4.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.281 0.562 . . . . 7.4400000000000004 110.31 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.42 99.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.374 -1.284 . . . . 4.8399999999999999 108.893 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.44 87.6 2.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 7.5700000000000003 110.031 -178.074 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 83.6 tttt 73.64 149.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.059 0.849 . . . . 8.9800000000000004 110.758 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 94.6 mt 75.84 -61.59 0.46 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.762 0.825 . . . . 6.8099999999999996 110.619 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.2 p -74.18 103.46 4.62 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.763 -0.458 . . . . 3.2400000000000002 109.763 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 61.6 22.59 13.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.806 0.813 . . . . 7.9299999999999997 110.087 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.38 47.63 0.76 Allowed Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.216 -1.154 . . . . 4.7599999999999998 110.216 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 4.5 t80 -106.05 -173.72 2.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.019 -0.734 . . . . 6.6200000000000001 109.019 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . 0.468 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.599 ' H ' HD21 ' A' ' 21' ' ' LEU . 2.3 pt? -97.07 111.64 23.77 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.339 0.59 . . . . 6.1799999999999997 110.471 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 p -87.08 -41.46 13.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.229 0.538 . . . . 4.7999999999999998 109.925 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.98 43.37 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.725 -0.67 . . . . 5.9500000000000002 111.954 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.5 p -137.07 175.36 9.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.891 -0.411 . . . . 5.75 109.891 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 66.16 93.61 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.543 0.687 . . . . 9.2200000000000006 110.819 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -95.15 152.27 18.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.586 . . . . 11.109999999999999 110.302 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -122.34 5.08 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.341 -0.704 . . . . 12.81 111.341 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 22.2 tptm -129.53 1.48 5.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.254 0.549 . . . . 16.100000000000001 110.46 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.916 -0.564 . . . . 17.809999999999999 110.144 -174.604 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.13 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.45 -0.795 . . . . 11.01 111.618 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.05 97.65 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.458 . . . . 9.3399999999999999 109.785 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.18 107.32 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.578 0.704 . . . . 6.46 110.451 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.66 9.07 21.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.324 -0.853 . . . . 7.54 110.094 -177.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -71.27 132.06 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.938 -0.574 . . . . 6.3600000000000003 110.644 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.72 143.96 28.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.447 -0.342 . . . . 7.4400000000000004 110.471 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.18 122.84 28.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.444 -0.344 . . . . 4.8399999999999999 110.791 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 61.07 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.174 -0.921 . . . . 7.5700000000000003 111.089 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -141.76 -56.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 8.9800000000000004 111.045 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.73 77.7 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.284 0.564 . . . . 6.8099999999999996 111.616 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.5 m -121.99 14.78 10.74 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.829 -0.804 . . . . 3.2400000000000002 108.829 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -72.45 102.68 3.26 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.214 -0.903 . . . . 7.9299999999999997 109.993 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -14.75 7.8 Favored Glycine 0 C--N 1.318 -0.446 0 N-CA-C 111.511 -0.636 . . . . 4.7599999999999998 111.511 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.94 153.81 21.92 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.571 -0.529 . . . . 6.6200000000000001 109.571 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -104.81 103.31 12.9 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.615 -0.72 . . . . 6.1799999999999997 110.025 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.5 p -98.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.645 -0.707 . . . . 4.7999999999999998 110.397 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.83 34.68 5.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.835 -0.698 . . . . 5.9500000000000002 111.564 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.27 -1.04 57.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.315 0.579 . . . . 5.75 112.016 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -79.89 -54.46 5.8 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.191 -0.913 . . . . 9.2200000000000006 110.265 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -141.36 113.51 8.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.4 -0.818 . . . . 11.109999999999999 110.432 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.24 -93.82 0.21 Allowed Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.282 -0.872 . . . . 12.81 111.29 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 56.66 64.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 16.100000000000001 110.275 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.669 -0.681 . . . . 17.809999999999999 110.214 -179.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 95.99 2.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.546 -0.752 . . . . 11.01 109.269 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.2 mt -74.78 104.42 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.206 -0.906 . . . . 9.3399999999999999 108.589 171.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.18 135.2 26.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.411 0.624 . . . . 6.46 111.656 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.66 34.5 0.9 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.671 0.748 . . . . 7.54 109.691 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -100.16 127.11 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 6.3600000000000003 109.906 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.736 ' HB2' HD11 ' A' ' 9' ' ' ILE . 4.4 tptp 58.99 34.34 23.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.671 -0.695 . . . . 7.4400000000000004 110.636 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.69 74.53 7.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.649 -0.705 . . . . 4.8399999999999999 110.466 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.604 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -101.1 -4.53 27.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.833 -0.621 . . . . 7.5700000000000003 111.671 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 125.91 0.42 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.412 0.625 . . . . 8.9800000000000004 112.431 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt 59.04 23.77 11.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.961 -1.018 . . . . 6.8099999999999996 113.223 165.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.0 41.16 1.24 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.192 0.52 . . . . 3.2400000000000002 111.175 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -92.17 -2.64 56.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.462 0.649 . . . . 7.9299999999999997 109.788 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.42 85.47 0.12 Allowed Glycine 0 C--N 1.314 -0.647 0 CA-C-N 114.581 -1.191 . . . . 4.7599999999999998 111.132 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.19 168.34 14.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.172 0.51 . . . . 6.6200000000000001 110.315 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.83 104.57 12.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.171 -0.468 . . . . 6.1799999999999997 109.921 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.23 -60.88 1.59 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 4.7999999999999998 110.628 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.43 23.12 37.04 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.671 -0.695 . . . . 5.9500000000000002 111.377 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 p -75.7 179.07 5.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.409 -0.396 . . . . 5.75 110.891 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -124.48 19.63 8.8 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.249 -0.282 . . . . 9.2200000000000006 110.453 -176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 66.11 11.39 7.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.603 0.716 . . . . 11.109999999999999 110.991 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.51 155.28 35.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.197 -0.91 . . . . 12.81 112.419 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.18 -14.16 34.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.802 0.334 . . . . 16.100000000000001 111.003 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 17.809999999999999 110.767 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 21.08 9.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.177 -0.919 . . . . 11.01 111.574 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -99.3 -179.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 9.3399999999999999 110.303 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.06 100.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.004 0.431 . . . . 6.46 110.033 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 28.3 mmmt -90.81 21.87 3.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 7.54 111.193 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.688 ' HB ' ' HA ' ' A' ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.52 89.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.594 -0.73 . . . . 6.3600000000000003 111.116 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 58.74 64.6 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.002 -0.999 . . . . 7.4400000000000004 110.901 175.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.68 -165.91 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.764 -0.653 . . . . 4.8399999999999999 110.406 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . 0.688 ' HA ' ' HB ' ' A' ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -113.5 150.69 32.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.73 -0.47 . . . . 7.5700000000000003 109.73 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 69.89 27.64 4.45 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.66 0.6 . . . . 8.9800000000000004 111.057 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.68 76.45 0.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.352 0.596 . . . . 6.8099999999999996 111.599 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 p -84.49 106.85 16.39 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.522 -0.763 . . . . 3.2400000000000002 110.221 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -118.75 23.5 11.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.479 0.657 . . . . 7.9299999999999997 110.764 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.66 67.14 1.54 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.317 -0.856 . . . . 4.7599999999999998 111.673 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 7.8 p90 -92.4 28.22 2.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.685 0.755 . . . . 6.6200000000000001 111.359 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -95.08 98.8 10.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.852 0.358 . . . . 6.1799999999999997 110.486 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.81 -39.34 12.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 4.7999999999999998 110.403 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 65.14 0.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.058 -0.817 . . . . 5.9500000000000002 111.058 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -137.63 147.22 44.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 5.75 111.271 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -106.79 102.64 12.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.99 -0.55 . . . . 9.2200000000000006 109.759 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -130.17 131.71 45.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.046 -0.525 . . . . 11.109999999999999 110.434 -177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -29.69 69.56 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.841 -0.904 . . . . 12.81 110.841 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -104.98 132.86 50.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.157 -0.522 . . . . 16.100000000000001 110.078 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.644 -0.693 . . . . 17.809999999999999 109.455 173.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.18 -35.5 41.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.007 -0.542 . . . . 11.01 110.255 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 tp -104.53 116.74 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.333 0.587 . . . . 9.3399999999999999 111.039 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.06 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.266 -0.642 . . . . 6.46 109.266 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.2 -17.37 40.82 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.088 0.867 . . . . 7.54 112.647 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -100.53 137.74 27.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 6.3600000000000003 111.373 -172.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 10' ' ' LYS . 2.7 mptp? -111.74 95.69 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.391 -0.596 . . . . 7.4400000000000004 109.391 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.57 107.5 18.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.331 -0.395 . . . . 4.8399999999999999 111.16 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 61.16 23.56 13.75 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.394 0.616 . . . . 7.5700000000000003 110.894 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -161.83 74.87 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.405 0.622 . . . . 8.9800000000000004 110.283 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt 63.49 29.01 15.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.21 -0.905 . . . . 6.8099999999999996 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.9 122.54 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.496 -0.32 . . . . 3.2400000000000002 110.217 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 25.53 7.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.311 -0.404 . . . . 7.9299999999999997 110.749 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.01 -12.0 80.33 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.938 -0.648 . . . . 4.7599999999999998 113.315 -176.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -90.76 104.4 16.99 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 117.119 0.459 . . . . 6.6200000000000001 110.425 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.67 82.88 0.86 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.592 -0.892 . . . . 6.1799999999999997 108.592 168.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.46 -27.28 56.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.14 0.495 . . . . 4.7999999999999998 110.968 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.99 43.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.559 -0.829 . . . . 5.9500000000000002 112.379 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 p -127.59 158.68 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.298 -0.26 . . . . 5.75 110.298 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -100.94 114.41 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.578 -0.527 . . . . 9.2200000000000006 109.578 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -62.6 140.23 58.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 11.109999999999999 111.894 -174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.58 124.85 0.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.013 -1.089 . . . . 12.81 113.281 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -140.77 -166.32 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.098 0.559 . . . . 16.100000000000001 109.576 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 119.066 -0.492 . . . . 17.809999999999999 110.112 175.27 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.71 145.81 36.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 11.01 110.352 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 pt -86.14 121.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.182 -0.917 . . . . 9.3399999999999999 111.574 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.52 112.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.779 . . . . 6.46 109.064 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -84.56 140.39 31.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 7.54 110.312 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.3 mt -134.58 130.87 53.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.274 -0.875 . . . . 6.3600000000000003 108.643 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HE2' ' HB3' ' A' ' 10' ' ' LYS . 42.9 mtpt -77.31 68.57 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.533 0.206 . . . . 7.4400000000000004 110.81 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.1 176.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.006 0.816 . . . . 4.8399999999999999 111.266 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . 0.458 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 67.71 -58.6 0.43 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.371 -0.831 . . . . 7.5700000000000003 111.887 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 25.2 ttmm -130.78 -67.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.877 0.37 . . . . 8.9800000000000004 110.527 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 70.1 mt -110.01 -67.32 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.219 -0.446 . . . . 6.8099999999999996 111.034 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 8.7 m 45.94 78.16 0.07 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.034 0.834 . . . . 3.2400000000000002 111.365 -170.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -88.55 13.62 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.521 -0.763 . . . . 7.9299999999999997 110.258 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 54.44 0.76 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.957 -1.019 . . . . 4.7599999999999998 111.038 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -82.77 118.71 23.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.897 0.38 . . . . 6.6200000000000001 110.014 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.09 115.75 30.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.665 -0.495 . . . . 6.1799999999999997 109.665 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -111.77 -49.52 2.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.452 -0.795 . . . . 4.7999999999999998 110.179 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.39 27.08 13.05 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.864 -0.895 . . . . 5.9500000000000002 110.864 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 127.13 31.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.329 0.585 . . . . 5.75 110.698 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -88.28 121.09 30.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.585 -0.734 . . . . 9.2200000000000006 109.721 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.73 111.04 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.49 -0.777 . . . . 11.109999999999999 110.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.8 28.32 2.64 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.635 -0.793 . . . . 12.81 112.533 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -86.88 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.844 0.354 . . . . 16.100000000000001 110.8 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.472 -0.775 . . . . 17.809999999999999 110.423 -177.317 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.83 130.67 56.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.731 0.3 . . . . 11.01 110.957 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.24 127.52 33.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 9.3399999999999999 110.764 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.43 165.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 6.46 110.545 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -85.62 27.21 0.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.132 0.491 . . . . 7.54 110.94 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 tp -110.13 144.26 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 116.026 -0.534 . . . . 6.3600000000000003 110.346 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -73.63 115.32 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.929 0.395 . . . . 7.4400000000000004 110.541 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.22 120.4 28.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 4.8399999999999999 110.434 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -89.05 -68.16 0.79 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.239 -0.652 . . . . 7.5700000000000003 109.239 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -122.81 -27.4 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 8.9800000000000004 111.175 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.48 73.77 1.22 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.583 0.706 . . . . 6.8099999999999996 110.413 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -105.59 101.72 11.22 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.552 -0.749 . . . . 3.2400000000000002 109.973 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.79 27.1 5.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.13 -0.487 . . . . 7.9299999999999997 110.321 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.87 96.91 2.07 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.566 -0.826 . . . . 4.7599999999999998 112.337 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 28.9 p90 -89.18 19.98 3.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.626 0.727 . . . . 6.6200000000000001 111.272 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.54 97.06 8.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 6.1799999999999997 110.063 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.0 p -99.71 -40.78 7.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.821 -0.627 . . . . 4.7999999999999998 110.809 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 15.58 45.87 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.717 -0.754 . . . . 5.9500000000000002 111.494 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -88.54 124.47 34.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.233 0.539 . . . . 5.75 111.131 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -123.59 0.38 8.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.549 -0.75 . . . . 9.2200000000000006 109.995 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -121.64 112.78 18.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.667 -0.697 . . . . 11.109999999999999 109.179 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 31' ' ' LYS . . . -125.55 150.79 17.47 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.412 -0.813 . . . . 12.81 111.494 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm 74.04 -37.25 0.36 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.424 0.689 . . . . 16.100000000000001 110.377 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 29' ' ' GLY . 86.1 tttt . . . . . 0 C--O 1.246 0.887 0 N-CA-C 108.939 -0.763 . . . . 17.809999999999999 108.939 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . 0.464 ' HHN' HD11 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.93 90.22 0.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.148 0.905 . . . . 11.01 112.384 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.476 HG22 ' HE2' ' A' ' 6' ' ' LYS . 52.8 mt -107.72 146.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.638 -0.71 . . . . 9.3399999999999999 110.714 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG13 HD12 ' A' ' 9' ' ' ILE . 15.7 m -91.76 103.91 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.603 0.716 . . . . 6.46 110.828 177.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HE2' HG22 ' A' ' 4' ' ' ILE . 67.9 mttm -138.12 147.01 43.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 7.54 110.373 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HD11 ' HHN' ' A' ' 1' ' ' 2OP . 48.5 mt -70.86 97.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.278 0.561 . . . . 6.3600000000000003 110.965 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -144.39 172.36 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.008 -0.996 . . . . 7.4400000000000004 109.471 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.0 149.42 41.29 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.137 -0.483 . . . . 4.8399999999999999 110.042 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -132.11 -50.92 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.863 -0.608 . . . . 7.5700000000000003 110.356 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -95.01 120.07 34.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.326 -0.852 . . . . 8.9800000000000004 110.177 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt 60.47 28.7 18.37 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.898 0.749 . . . . 6.8099999999999996 111.049 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.22 139.18 44.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.583 -0.735 . . . . 3.2400000000000002 110.273 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -93.43 5.11 52.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.393 0.616 . . . . 7.9299999999999997 110.368 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.45 72.57 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.935 -1.029 . . . . 4.7599999999999998 112.93 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -104.39 129.3 52.34 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.841 -0.429 . . . . 6.6200000000000001 109.841 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -100.15 106.47 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.116 -0.947 . . . . 6.1799999999999997 109.598 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.0 -39.29 9.42 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.202 -0.908 . . . . 4.7999999999999998 109.119 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.05 49.91 0.85 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.296 -0.865 . . . . 5.9500000000000002 111.991 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 7' ' ' DBU . 5.9 p -131.69 169.53 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.579 -0.156 . . . . 5.75 110.579 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' PHE . 62.7 m-70 61.35 74.0 0.46 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.59 0.556 . . . . 9.2200000000000006 110.658 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.7 m-85 72.11 155.81 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.097 -0.956 . . . . 11.109999999999999 110.367 -175.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.03 -27.63 55.81 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.489 -0.778 . . . . 12.81 112.334 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 142.67 33.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.141 0.496 . . . . 16.100000000000001 110.354 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.6 -0.727 . . . . 17.809999999999999 109.917 -178.636 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.18 165.58 12.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 11.01 110.567 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -91.68 109.17 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.553 -0.749 . . . . 9.3399999999999999 110.928 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.533 HG23 ' HG2' ' A' ' 8' ' ' DBU . 3.5 p -114.56 103.02 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.71 0.766 . . . . 6.46 111.047 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -106.12 146.09 30.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 7.54 109.734 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . 0.533 ' HG2' HG23 ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.8 mt -80.1 97.19 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 6.3600000000000003 110.462 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -95.89 92.29 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.004 -0.544 . . . . 7.4400000000000004 110.082 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.71 97.21 10.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.975 -0.557 . . . . 4.8399999999999999 109.651 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.38 -51.45 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.577 -0.527 . . . . 7.5700000000000003 109.577 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -172.42 154.96 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.068 -0.716 . . . . 8.9800000000000004 109.068 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.7 mt 64.68 28.57 13.09 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.505 0.503 . . . . 6.8099999999999996 110.453 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . 19.9 m -76.39 162.6 27.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.515 -0.766 . . . . 3.2400000000000002 111.652 -174.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -104.55 122.01 44.68 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.086 -0.709 . . . . 7.9299999999999997 109.086 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.32 -28.4 14.61 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.888 -0.885 . . . . 4.7599999999999998 110.888 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 80.9 t80 -101.86 133.3 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.713 -0.847 . . . . 6.6200000000000001 108.713 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.752 ' H ' HD21 ' A' ' 21' ' ' LEU . 1.1 pt? -71.49 79.83 0.79 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.774 0.797 . . . . 6.1799999999999997 109.368 174.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.87 -35.34 78.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.1 -0.704 . . . . 4.7999999999999998 109.1 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.89 -86.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.826 -0.909 . . . . 5.9500000000000002 110.826 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.6 m 49.05 80.1 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.524 0.678 . . . . 5.75 112.723 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -155.69 81.77 1.03 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.255 -0.884 . . . . 9.2200000000000006 110.371 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -81.7 172.41 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 11.109999999999999 110.166 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.68 91.62 0.18 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.718 -0.673 . . . . 12.81 112.038 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -110.41 -1.39 17.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 16.100000000000001 109.313 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.063 -0.971 . . . . 17.809999999999999 109.729 -179.044 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.76 19.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.776 -0.647 . . . . 11.01 110.028 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.8 mm -112.1 84.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 9.3399999999999999 110.074 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -101.88 112.9 36.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.197 -0.668 . . . . 6.46 109.197 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttp 63.28 -174.19 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.777 -0.647 . . . . 7.54 109.387 -170.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.2 mm -98.97 97.24 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.614 -0.721 . . . . 6.3600000000000003 109.988 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -85.23 91.66 8.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.506 . . . . 7.4400000000000004 109.862 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.38 158.29 19.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 4.8399999999999999 110.553 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -80.51 -24.7 39.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 7.5700000000000003 109.133 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -86.24 175.63 8.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.759 -1.109 . . . . 8.9800000000000004 108.506 174.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.06 76.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.403 0.62 . . . . 6.8099999999999996 111.128 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 p -105.1 5.28 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 3.2400000000000002 110.038 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -92.38 20.52 6.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 7.9299999999999997 110.357 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.12 51.61 0.01 OUTLIER Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.538 -1.025 . . . . 4.7599999999999998 110.538 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -79.6 114.37 18.47 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.267 -0.466 . . . . 6.6200000000000001 110.098 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.4 86.17 1.13 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 6.1799999999999997 111.084 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.09 -26.46 14.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.136 0.493 . . . . 4.7999999999999998 110.215 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.7 -2.57 55.28 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.599 -0.81 . . . . 5.9500000000000002 111.955 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 94.95 9.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.448 0.642 . . . . 5.75 110.845 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -86.97 -29.68 21.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.748 -0.66 . . . . 9.2200000000000006 109.583 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 134.54 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 11.109999999999999 110.335 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.84 -107.17 0.2 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.212 -0.755 . . . . 12.81 111.212 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.66 -53.57 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.581 0.705 . . . . 16.100000000000001 109.133 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.682 -1.144 . . . . 17.809999999999999 108.479 177.251 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.83 128.37 33.95 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.345 -0.242 . . . . 11.01 110.345 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.729 ' H ' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -89.79 139.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 9.3399999999999999 110.543 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG13 ' H ' ' A' ' 7' ' ' DBU . 45.0 t -95.66 121.3 46.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.322 -0.399 . . . . 6.46 110.321 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -2.84 58.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.423 0.63 . . . . 7.54 110.18 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.508 ' HB ' ' HB3' ' A' ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 mt -89.06 53.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.359 0.6 . . . . 6.3600000000000003 110.128 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 64.94 114.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 114.997 -1.002 . . . . 7.4400000000000004 112.221 178.451 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.508 ' HB3' ' HB ' ' A' ' 7' ' ' DBU . . . -71.07 161.89 30.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.28 -0.873 . . . . 4.8399999999999999 110.56 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . 0.405 ' C ' ' HB3' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -122.42 -75.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 7.5700000000000003 110.5 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HB2' ' HZ3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -64.27 115.87 5.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.78 -0.645 . . . . 8.9800000000000004 111.366 -177.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt 56.91 23.4 8.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.704 -0.68 . . . . 6.8099999999999996 111.712 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' HB3' ' C ' ' A' ' 12' ' ' DAL . 9.8 t -107.55 12.48 27.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.056 0.455 . . . . 3.2400000000000002 111.005 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.1 mtp85 -84.13 74.06 10.33 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.014 -0.736 . . . . 7.9299999999999997 109.014 174.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.92 91.81 1.52 Allowed Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 114.927 -1.033 . . . . 4.7599999999999998 110.741 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -63.88 110.24 2.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.121 0.486 . . . . 6.6200000000000001 110.424 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.51 104.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.575 -0.528 . . . . 6.1799999999999997 109.575 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.8 p -108.98 -46.87 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 4.7999999999999998 109.882 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.78 45.73 1.69 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.062 -0.815 . . . . 5.9500000000000002 111.062 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 p -127.05 166.36 17.75 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.792 0.329 . . . . 5.75 110.854 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -120.05 -9.43 9.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.152 0.501 . . . . 9.2200000000000006 110.007 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -103.54 118.72 37.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.977 -0.556 . . . . 11.109999999999999 110.592 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.07 31.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.452 -0.88 . . . . 12.81 111.66 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -89.04 147.76 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.346 -0.427 . . . . 16.100000000000001 110.996 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.762 -0.829 . . . . 17.809999999999999 108.762 171.781 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . 0.408 ' C ' ' H ' ' A' ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 42.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.334 -0.394 . . . . 11.01 111.023 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . 0.408 ' H ' ' C ' ' A' ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.489 ' HA ' ' CG ' ' A' ' 8' ' ' DBU . 6.5 tt -101.46 101.36 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 121.485 0.659 . . . . 9.3399999999999999 110.696 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -116.26 8.62 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 6.46 110.849 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp 174.58 81.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.724 -1.125 . . . . 7.54 109.936 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.49 107.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.002 -0.544 . . . . 6.3600000000000003 110.463 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -81.68 81.73 7.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.437 0.637 . . . . 7.4400000000000004 110.723 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.26 76.16 9.91 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.353 -0.84 . . . . 4.8399999999999999 109.941 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' DAL . 11.5 tppt? 169.43 -74.58 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 124.139 0.899 . . . . 7.5700000000000003 108.651 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -147.81 -73.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.143 -0.935 . . . . 8.9800000000000004 109.122 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -90.26 -19.72 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 6.8099999999999996 110.316 176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 91.7 m 59.95 -160.63 0.29 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.504 -0.771 . . . . 3.2400000000000002 111.567 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 54.8 mtp180 75.29 13.7 3.1 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.401 0.681 . . . . 7.9299999999999997 110.032 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.95 154.47 7.72 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.318 -0.855 . . . . 4.7599999999999998 111.504 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -125.15 145.16 50.08 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.613 -0.514 . . . . 6.6200000000000001 109.613 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . 0.449 ' HG2' ' N ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 21' ' ' LEU . 3.2 mm? -74.13 106.39 5.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.955 -0.387 . . . . 6.1799999999999997 109.955 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.71 -32.86 9.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.999 -0.546 . . . . 4.7999999999999998 109.935 175.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 20' ' ' DBB . . . -118.17 33.28 4.93 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.263 -0.735 . . . . 5.9500000000000002 111.263 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.0 p -95.76 148.72 22.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.17 -0.515 . . . . 5.75 110.33 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.24 87.64 7.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.497 -0.319 . . . . 9.2200000000000006 110.27 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -69.32 143.04 53.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.146 -0.687 . . . . 11.109999999999999 109.146 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.89 -125.37 2.69 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.567 -1.197 . . . . 12.81 110.518 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HZ2' ' HB2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -160.24 -45.35 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.853 0.359 . . . . 16.100000000000001 110.615 176.043 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' OXT' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.821 -0.609 . . . . 17.809999999999999 109.589 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.81 118.34 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.549 -0.751 . . . . 11.01 110.045 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' C ' ' H ' ' A' ' 6' ' ' LYS . 9.6 tp -146.28 151.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.733 -0.84 . . . . 9.3399999999999999 108.733 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 m -71.09 21.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.957 0.725 . . . . 6.46 112.957 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' A' ' 4' ' ' ILE . 2.2 mptp? 53.55 -149.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.017 0.527 . . . . 7.54 111.266 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . 0.743 ' HB ' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt 58.07 94.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.681 -1.145 . . . . 6.3600000000000003 111.611 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -113.48 13.85 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.893 0.854 . . . . 7.4400000000000004 109.732 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.6 89.65 6.23 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.432 -1.258 . . . . 4.8399999999999999 110.989 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -116.5 -28.68 6.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 7.5700000000000003 111.397 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.743 ' HE2' ' HB ' ' A' ' 7' ' ' DBU . 29.7 mtpp -132.92 133.97 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 8.9800000000000004 110.597 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp 61.32 19.21 9.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.187 -0.915 . . . . 6.8099999999999996 112.706 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.5 m -84.17 141.05 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.343 -0.223 . . . . 3.2400000000000002 110.444 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 67.39 16.69 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.028 0.83 . . . . 7.9299999999999997 111.246 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.3 -17.51 58.83 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.525 -1.03 . . . . 4.7599999999999998 110.525 171.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -129.33 127.8 41.84 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.113 -0.699 . . . . 6.6200000000000001 109.113 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.2 tp -129.31 110.69 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.903 -0.777 . . . . 6.1799999999999997 108.903 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -109.14 -44.24 3.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.123 -0.944 . . . . 4.7999999999999998 110.128 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.83 23.33 36.49 Favored Glycine 0 N--CA 1.454 -0.166 0 CA-C-N 115.741 -0.663 . . . . 5.9500000000000002 111.472 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -95.42 134.78 37.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 5.75 111.037 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -124.95 12.0 8.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.848 -0.614 . . . . 9.2200000000000006 111.179 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.1 110.8 20.93 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.831 -0.622 . . . . 11.109999999999999 109.757 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.18 160.98 27.36 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.68 -0.771 . . . . 12.81 111.972 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -107.52 -38.08 6.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.639 0.257 . . . . 16.100000000000001 110.867 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 11.7 ttpp . . . . . 0 C--O 1.242 0.68 0 CA-C-O 118.453 -0.785 . . . . 17.809999999999999 110.913 -177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.33 111.42 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.521 0.513 . . . . 11.01 110.042 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 tt -74.9 123.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.338 0.589 . . . . 9.3399999999999999 109.412 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.21 152.67 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 6.46 111.867 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -107.97 144.84 34.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.756 -0.657 . . . . 7.54 110.441 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.6 mp -84.36 115.72 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.543 -0.753 . . . . 6.3600000000000003 109.719 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -91.95 126.61 37.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.956 -0.566 . . . . 7.4400000000000004 110.523 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.8 88.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 4.8399999999999999 110.324 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -59.69 -29.93 68.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.029 0.443 . . . . 7.5700000000000003 110.47 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 16' ' ' CYS . 17.0 ptmt -125.48 -148.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 8.9800000000000004 109.651 178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.45 34.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.34 0.496 . . . . 6.8099999999999996 112.34 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.714 -0.221 . . . . 3.2400000000000002 110.757 178.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.9 79.51 4.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.325 -0.398 . . . . 7.9299999999999997 110.38 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 60.36 7.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.753 -0.737 . . . . 4.7599999999999998 111.394 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 20' ' ' DBB . 20.7 t80 -126.85 154.81 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.451 -0.574 . . . . 6.6200000000000001 109.451 -176.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . 0.444 ' HG2' ' CD2' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.94 86.99 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.299 -0.864 . . . . 6.1799999999999997 110.761 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.3 p -74.55 -55.99 5.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.106 -0.497 . . . . 4.7999999999999998 109.891 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.32 61.65 0.89 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.646 -0.788 . . . . 5.9500000000000002 112.159 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -153.59 152.32 30.75 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.525 -0.397 . . . . 5.75 110.824 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -172.49 44.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.381 -0.97 . . . . 9.2200000000000006 108.381 173.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -151.85 135.49 16.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.451 -0.795 . . . . 11.109999999999999 109.185 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.28 8.8 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.357 -0.838 . . . . 12.81 111.091 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -118.21 136.12 53.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.321 0.581 . . . . 16.100000000000001 110.11 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.73 -0.668 . . . . 17.809999999999999 109.627 -179.398 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 149.42 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.639 -0.71 . . . . 11.01 110.117 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . 0.506 ' HB2' ' HG2' ' A' ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.57 HG13 ' HE3' ' A' ' 10' ' ' LYS . 39.2 pt -85.6 156.24 3.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.099 -0.501 . . . . 9.3399999999999999 110.016 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.7 t 67.69 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.307 0.575 . . . . 6.46 110.583 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -57.37 131.3 49.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.571 -0.74 . . . . 7.54 110.317 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . 0.506 ' HG2' ' HB2' ' A' ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 pt -62.87 119.79 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-O 121.637 0.732 . . . . 6.3600000000000003 111.98 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HE3' HG13 ' A' ' 4' ' ' ILE . 17.6 pttm -153.0 134.39 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.406 -0.816 . . . . 7.4400000000000004 109.745 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.61 149.17 40.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 4.8399999999999999 111.558 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.35 -67.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.254 -0.276 . . . . 7.5700000000000003 110.254 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -131.44 -50.19 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.688 0.28 . . . . 8.9800000000000004 110.966 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.0 -38.63 2.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.251 -0.431 . . . . 6.8099999999999996 111.179 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.99 39.59 29.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.291 0.567 . . . . 3.2400000000000002 111.59 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 30.5 ptt180 -70.16 102.61 2.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.635 0.731 . . . . 7.9299999999999997 110.628 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 128.32 -22.78 5.26 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.129 -0.941 . . . . 4.7599999999999998 111.391 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -93.45 111.86 23.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 6.6200000000000001 109.742 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.0 tp -111.77 83.29 1.76 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.0 0.428 . . . . 6.1799999999999997 109.89 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 m -76.34 -65.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.656 -0.702 . . . . 4.7999999999999998 110.624 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.7 51.06 0.72 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.572 -0.611 . . . . 5.9500000000000002 111.572 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.2 p -106.92 144.24 33.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.898 0.38 . . . . 5.75 110.911 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -128.63 101.84 6.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.776 -0.453 . . . . 9.2200000000000006 109.776 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -86.5 124.66 33.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.174 -0.466 . . . . 11.109999999999999 110.74 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.96 107.67 3.24 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.047 -0.597 . . . . 12.81 111.717 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.26 104.28 10.7 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.586 -0.361 . . . . 16.100000000000001 110.527 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttm . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.11 -0.948 . . . . 17.809999999999999 109.621 177.76 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.4 6.94 6.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.729 -0.669 . . . . 11.01 111.118 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.78 39.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.876 0.846 . . . . 9.3399999999999999 109.69 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.81 71.38 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 122.667 1.222 . . . . 6.46 110.457 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -103.68 14.17 31.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.822 -1.081 . . . . 7.54 110.475 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.71 72.24 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.337 1.065 . . . . 6.3600000000000003 110.227 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.8 91.58 3.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.91 -1.041 . . . . 7.4400000000000004 109.207 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.42 -177.07 6.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.654 . . . . 4.8399999999999999 110.127 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 54.16 -90.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.022 -0.99 . . . . 7.5700000000000003 112.334 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -135.31 11.85 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.967 0.413 . . . . 8.9800000000000004 110.045 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.15 -20.65 18.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 6.8099999999999996 110.894 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -130.16 167.88 17.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.609 -0.723 . . . . 3.2400000000000002 110.489 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -112.8 109.15 18.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.599 -0.519 . . . . 7.9299999999999997 109.599 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.03 -61.2 0.51 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.82 -0.705 . . . . 4.7599999999999998 112.055 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -103.16 113.63 27.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.419 0.628 . . . . 6.6200000000000001 110.687 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.62 108.79 20.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.555 -0.748 . . . . 6.1799999999999997 110.111 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 24' ' ' GLY . 11.0 p -93.83 -73.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.993 0.425 . . . . 4.7999999999999998 110.47 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . . . -95.66 29.39 9.84 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.883 -0.599 . . . . 5.9500000000000002 111.768 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.38 2.78 10.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.836 0.827 . . . . 5.75 111.34 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -101.06 -2.95 30.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.643 -1.162 . . . . 9.2200000000000006 109.541 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.14 90.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.436 -0.95 . . . . 11.109999999999999 108.436 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.75 30.89 78.24 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.825 -0.91 . . . . 12.81 110.825 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -96.95 162.16 13.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.08 -0.56 . . . . 16.100000000000001 111.179 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.34 -0.838 . . . . 17.809999999999999 108.983 174.688 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.42 -164.23 1.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.308 -0.86 . . . . 11.01 110.233 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.98 83.32 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 121.59 0.71 . . . . 9.3399999999999999 109.789 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -130.21 146.13 34.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.153 -0.93 . . . . 6.46 109.236 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -77.86 115.67 17.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.935 -0.394 . . . . 7.54 109.935 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 pt -97.59 106.42 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.69 -0.686 . . . . 6.3600000000000003 110.265 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -116.88 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.98 -0.554 . . . . 7.4400000000000004 110.942 -176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.48 122.48 45.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.221 -0.445 . . . . 4.8399999999999999 110.488 176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm 68.46 -67.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.862 0.865 . . . . 7.5700000000000003 112.131 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -95.2 105.6 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.051 0.389 . . . . 8.9800000000000004 112.051 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt 67.03 -2.15 1.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.693 0.997 . . . . 6.8099999999999996 113.693 170.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 85.9 m -70.61 113.55 7.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 3.2400000000000002 110.25 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -111.05 17.05 20.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.012 0.434 . . . . 7.9299999999999997 110.46 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.04 -34.1 89.04 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.566 -0.743 . . . . 4.7599999999999998 112.018 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -95.82 26.0 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.941 0.876 . . . . 6.6200000000000001 110.408 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.2 99.89 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 6.1799999999999997 110.201 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.6 p -84.12 -34.95 24.0 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.466 0.479 . . . . 4.7999999999999998 110.667 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.45 -5.6 51.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.193 -1.004 . . . . 5.9500000000000002 112.972 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.92 94.02 5.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.217 0.532 . . . . 5.75 111.365 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -111.01 17.76 20.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.023 -0.535 . . . . 9.2200000000000006 110.441 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 69.89 122.25 0.03 OUTLIER 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.294 -0.866 . . . . 11.109999999999999 111.709 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.47 43.4 94.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.845 -0.693 . . . . 12.81 111.802 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -144.23 123.9 13.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.101 0.477 . . . . 16.100000000000001 111.294 -174.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 17.809999999999999 109.127 171.638 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.61 -11.93 33.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.936 -0.575 . . . . 11.01 110.768 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt 65.64 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.316 -0.856 . . . . 9.3399999999999999 110.827 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.555 ' HB ' ' HG2' ' A' ' 8' ' ' DBU . 48.2 t -92.09 137.28 22.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 6.46 109.996 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -76.19 125.39 29.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.633 -0.506 . . . . 7.54 109.633 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . 0.555 ' HG2' ' HB ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 11' ' ' ALA . 7.4 tp -75.24 144.53 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.747 -0.661 . . . . 6.3600000000000003 109.853 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 10' ' ' LYS . 2.9 mptp? -96.78 29.24 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.457 0.646 . . . . 7.4400000000000004 110.172 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -153.75 136.3 15.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.225 -0.898 . . . . 4.8399999999999999 109.942 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -88.69 -79.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 7.5700000000000003 111.29 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -116.07 -64.33 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.451 . . . . 8.9800000000000004 111.394 -175.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.91 -56.34 2.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 6.8099999999999996 110.873 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.2 m 55.73 12.84 0.9 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.196 -0.911 . . . . 3.2400000000000002 112.615 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -118.36 8.82 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.784 0.802 . . . . 7.9299999999999997 109.552 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.24 15.2 25.44 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.335 -1.302 . . . . 4.7599999999999998 111.237 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -73.32 126.06 29.25 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 109.667 -0.494 . . . . 6.6200000000000001 109.667 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.1 tp -107.02 107.6 18.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 6.1799999999999997 109.752 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -100.7 -45.2 5.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.423 -0.808 . . . . 4.7999999999999998 110.445 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.59 9.63 55.72 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.245 -0.742 . . . . 5.9500000000000002 111.245 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -79.9 106.97 12.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 5.75 110.565 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -78.19 -52.17 9.1 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.552 -0.749 . . . . 9.2200000000000006 109.55 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -121.07 4.52 10.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.415 0.626 . . . . 11.109999999999999 109.984 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.37 98.51 1.46 Allowed Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.027 -0.606 . . . . 12.81 111.621 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -81.75 93.84 6.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.257 0.551 . . . . 16.100000000000001 110.235 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.38 -0.819 . . . . 17.809999999999999 109.658 -178.744 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' 2OP . . . . . 0.518 ' HHN' HG22 ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.81 89.08 0.09 Allowed 'General case' 0 C--O 1.237 0.429 0 O-C-N 123.9 0.75 . . . . 11.01 112.044 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt -100.24 115.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.396 0.617 . . . . 9.3399999999999999 111.404 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG22 ' HHN' ' A' ' 1' ' ' 2OP . 46.3 t -105.8 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.772 -0.649 . . . . 6.46 109.977 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 54.3 73.29 0.4 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.621 -0.718 . . . . 7.54 110.939 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.1 mt 47.6 61.09 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.928 0.87 . . . . 6.3600000000000003 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -95.87 87.14 4.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.446 -0.797 . . . . 7.4400000000000004 109.294 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.85 155.19 41.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.383 -0.826 . . . . 4.8399999999999999 110.561 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.39 -76.7 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.609 -0.723 . . . . 7.5700000000000003 110.607 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.87 -54.55 2.13 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.725 -0.671 . . . . 8.9800000000000004 109.8 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -105.75 118.38 36.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.885 -0.598 . . . . 6.8099999999999996 110.162 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.0 m -110.3 15.51 22.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.697 0.761 . . . . 3.2400000000000002 110.168 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -119.84 126.02 49.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.225 -0.898 . . . . 7.9299999999999997 110.369 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.51 22.08 9.34 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.704 -0.76 . . . . 4.7599999999999998 112.087 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -82.19 166.53 19.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 6.6200000000000001 110.564 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 tp -92.65 77.95 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.447 -0.946 . . . . 6.1799999999999997 108.447 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.9 m -64.88 -53.71 42.36 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.273 0.558 . . . . 4.7999999999999998 109.626 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.47 18.42 56.42 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.391 -0.822 . . . . 5.9500000000000002 111.606 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 m -75.36 83.27 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.593 0.711 . . . . 5.75 110.832 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -140.97 15.11 2.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.817 -1.083 . . . . 9.2200000000000006 109.245 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -132.1 130.82 41.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 11.109999999999999 110.164 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.07 154.03 14.2 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.35 -0.7 . . . . 12.81 111.35 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -150.33 124.73 9.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.882 0.372 . . . . 16.100000000000001 110.495 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.871 -0.585 . . . . 17.809999999999999 109.855 178.678 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -115.06 134.73 54.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 10.73 110.078 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.3 mt -106.51 98.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.133 -0.485 . . . . 9.02 110.965 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t 66.27 116.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.822 0.82 . . . . 6.13 112.347 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 2' ' ' ALA . 64.4 mttm -91.87 11.88 23.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 7.12 110.105 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.19 118.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.748 -0.66 . . . . 5.93 110.553 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -80.75 155.55 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.038 -0.528 . . . . 7.12 109.704 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 170.53 0.27 Allowed 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.907 0.754 . . . . 4.37 111.29 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.443 ' HB1' ' O ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -117.9 -36.64 3.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.968 -0.56 . . . . 7.2 109.969 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -76.61 83.34 3.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 8.73 110.753 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt 65.96 11.08 7.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.767 -0.651 . . . . 6.37 112.193 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 12' ' ' DAL . 20.6 p -120.16 28.8 7.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 3.24 111.258 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -83.77 -0.77 52.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.937 0.399 . . . . 7.35 111.377 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.92 -23.38 3.13 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-N 115.703 -0.68 . . . . 4.13 113.649 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -84.02 126.24 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.822 0.344 . . . . 5.79 110.583 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.78 95.51 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.549 -0.538 . . . . 5.81 109.549 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 p -92.24 -63.09 1.28 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.588 -0.733 . . . . 4.8 109.462 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.94 52.76 4.6 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.185 -0.766 . . . . 5.95 111.185 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.46 136.87 31.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.175 0.512 . . . . 5.75 110.746 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -140.7 45.54 1.81 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.564 -0.902 . . . . 8.66 108.564 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -83.85 179.74 7.49 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.266 -0.879 . . . . 10.49 110.903 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.4 43.66 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.172 -0.771 . . . . 12.81 111.172 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -146.05 150.32 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.345 -0.427 . . . . 15.72 110.014 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.279 -0.638 . . . . 17.62 109.279 172.041 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.61 -49.26 4.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 10.73 109.965 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' DHA . . . . . 0.403 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.619 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -81.13 16.38 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.571 0.701 . . . . 9.02 111.867 -175.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 3' ' ' DHA . 4.4 m -99.81 76.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.406 -0.815 . . . . 6.13 110.906 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -73.92 92.42 2.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.678 -0.692 . . . . 7.12 110.02 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -96.06 114.74 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.148 -0.686 . . . . 5.93 109.148 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -77.93 69.68 4.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.281 0.562 . . . . 7.12 110.31 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.42 99.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.374 -1.284 . . . . 4.37 108.893 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.44 87.6 2.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 7.2 110.031 -178.074 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 83.6 tttt 73.64 149.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.059 0.849 . . . . 8.73 110.758 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 94.6 mt 75.84 -61.59 0.46 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.762 0.825 . . . . 6.37 110.619 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.2 p -74.18 103.46 4.62 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.763 -0.458 . . . . 3.24 109.763 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 61.6 22.59 13.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.806 0.813 . . . . 7.35 110.087 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.38 47.63 0.76 Allowed Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.216 -1.154 . . . . 4.13 110.216 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 4.5 t80 -106.05 -173.72 2.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.019 -0.734 . . . . 5.79 109.019 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' DBB . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.3 pt? -97.07 111.64 23.77 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.339 0.59 . . . . 5.81 110.471 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 p -87.08 -41.46 13.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.229 0.538 . . . . 4.8 109.925 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.98 43.37 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.725 -0.67 . . . . 5.95 111.954 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.5 p -137.07 175.36 9.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.891 -0.411 . . . . 5.75 109.891 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 66.16 93.61 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.543 0.687 . . . . 8.66 110.819 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -95.15 152.27 18.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.586 . . . . 10.49 110.302 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -122.34 5.08 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.341 -0.704 . . . . 12.81 111.341 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -129.53 1.48 5.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.254 0.549 . . . . 15.72 110.46 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.916 -0.564 . . . . 17.62 110.144 -174.604 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.13 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.45 -0.795 . . . . 10.73 111.618 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.05 97.65 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.458 . . . . 9.02 109.785 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.18 107.32 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.578 0.704 . . . . 6.13 110.451 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.66 9.07 21.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.324 -0.853 . . . . 7.12 110.094 -177.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -71.27 132.06 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.938 -0.574 . . . . 5.93 110.644 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.72 143.96 28.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.447 -0.342 . . . . 7.12 110.471 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.18 122.84 28.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.444 -0.344 . . . . 4.37 110.791 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 61.07 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.174 -0.921 . . . . 7.2 111.089 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -141.76 -56.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 8.73 111.045 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.73 77.7 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.284 0.564 . . . . 6.37 111.616 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.5 m -121.99 14.78 10.74 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.829 -0.804 . . . . 3.24 108.829 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -72.45 102.68 3.26 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.214 -0.903 . . . . 7.35 109.993 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -14.75 7.8 Favored Glycine 0 C--N 1.318 -0.446 0 N-CA-C 111.511 -0.636 . . . . 4.13 111.511 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.94 153.81 21.92 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.571 -0.529 . . . . 5.79 109.571 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -104.81 103.31 12.9 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.615 -0.72 . . . . 5.81 110.025 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.5 p -98.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.645 -0.707 . . . . 4.8 110.397 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.83 34.68 5.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.835 -0.698 . . . . 5.95 111.564 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.27 -1.04 57.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.315 0.579 . . . . 5.75 112.016 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -79.89 -54.46 5.8 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.191 -0.913 . . . . 8.66 110.265 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -141.36 113.51 8.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.4 -0.818 . . . . 10.49 110.432 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.24 -93.82 0.21 Allowed Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.282 -0.872 . . . . 12.81 111.29 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 56.66 64.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 15.72 110.275 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.669 -0.681 . . . . 17.62 110.214 -179.425 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 95.99 2.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.546 -0.752 . . . . 10.73 109.269 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.2 mt -74.78 104.42 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.206 -0.906 . . . . 9.02 108.589 171.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.18 135.2 26.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.411 0.624 . . . . 6.13 111.656 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.66 34.5 0.9 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.671 0.748 . . . . 7.12 109.691 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.756 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -100.16 127.11 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 5.93 109.906 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.756 ' HB2' HD13 ' A' ' 9' ' ' ILE . 4.4 tptp 58.99 34.34 23.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.671 -0.695 . . . . 7.12 110.636 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.69 74.53 7.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.649 -0.705 . . . . 4.37 110.466 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -101.1 -4.53 27.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.833 -0.621 . . . . 7.2 111.671 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 125.91 0.42 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.412 0.625 . . . . 8.73 112.431 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt 59.04 23.77 11.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.961 -1.018 . . . . 6.37 113.223 165.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.0 41.16 1.24 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.192 0.52 . . . . 3.24 111.175 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -92.17 -2.64 56.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.462 0.649 . . . . 7.35 109.788 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.42 85.47 0.12 Allowed Glycine 0 C--N 1.314 -0.647 0 CA-C-N 114.581 -1.191 . . . . 4.13 111.132 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.19 168.34 14.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.172 0.51 . . . . 5.79 110.315 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.83 104.57 12.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.171 -0.468 . . . . 5.81 109.921 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.23 -60.88 1.59 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 4.8 110.628 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.43 23.12 37.04 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.671 -0.695 . . . . 5.95 111.377 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 p -75.7 179.07 5.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.409 -0.396 . . . . 5.75 110.891 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -124.48 19.63 8.8 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.249 -0.282 . . . . 8.66 110.453 -176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 66.11 11.39 7.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.603 0.716 . . . . 10.49 110.991 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.51 155.28 35.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.197 -0.91 . . . . 12.81 112.419 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.18 -14.16 34.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.802 0.334 . . . . 15.72 111.003 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 17.62 110.767 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 21.08 9.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.177 -0.919 . . . . 10.73 111.574 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -99.3 -179.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 9.02 110.303 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.06 100.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.004 0.431 . . . . 6.13 110.033 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.81 21.87 3.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 7.12 111.193 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.703 ' HB ' ' HA ' ' A' ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.52 89.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.594 -0.73 . . . . 5.93 111.116 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 58.74 64.6 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.002 -0.999 . . . . 7.12 110.901 175.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.68 -165.91 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.764 -0.653 . . . . 4.37 110.406 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.703 ' HA ' ' HB ' ' A' ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -113.5 150.69 32.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.73 -0.47 . . . . 7.2 109.73 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 69.89 27.64 4.45 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.66 0.6 . . . . 8.73 111.057 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.68 76.45 0.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.352 0.596 . . . . 6.37 111.599 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 p -84.49 106.85 16.39 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.522 -0.763 . . . . 3.24 110.221 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -118.75 23.5 11.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.479 0.657 . . . . 7.35 110.764 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.66 67.14 1.54 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.317 -0.856 . . . . 4.13 111.673 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -92.4 28.22 2.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.685 0.755 . . . . 5.79 111.359 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -95.08 98.8 10.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.852 0.358 . . . . 5.81 110.486 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.81 -39.34 12.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 4.8 110.403 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 65.14 0.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.058 -0.817 . . . . 5.95 111.058 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -137.63 147.22 44.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 5.75 111.271 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -106.79 102.64 12.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.99 -0.55 . . . . 8.66 109.759 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -130.17 131.71 45.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.046 -0.525 . . . . 10.49 110.434 -177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -29.69 69.56 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.841 -0.904 . . . . 12.81 110.841 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -104.98 132.86 50.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.157 -0.522 . . . . 15.72 110.078 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.644 -0.693 . . . . 17.62 109.455 173.645 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.18 -35.5 41.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.007 -0.542 . . . . 10.73 110.255 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 tp -104.53 116.74 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.333 0.587 . . . . 9.02 111.039 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.06 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.266 -0.642 . . . . 6.13 109.266 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.2 -17.37 40.82 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.088 0.867 . . . . 7.12 112.647 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -100.53 137.74 27.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 5.93 111.373 -172.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 2.7 mptp? -111.74 95.69 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.391 -0.596 . . . . 7.12 109.391 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.57 107.5 18.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.331 -0.395 . . . . 4.37 111.16 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 61.16 23.56 13.75 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.394 0.616 . . . . 7.2 110.894 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -161.83 74.87 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.405 0.622 . . . . 8.73 110.283 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt 63.49 29.01 15.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.21 -0.905 . . . . 6.37 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.9 122.54 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.496 -0.32 . . . . 3.24 110.217 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 25.53 7.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.311 -0.404 . . . . 7.35 110.749 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.01 -12.0 80.33 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.938 -0.648 . . . . 4.13 113.315 -176.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -90.76 104.4 16.99 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 117.119 0.459 . . . . 5.79 110.425 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.67 82.88 0.86 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.592 -0.892 . . . . 5.81 108.592 168.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.46 -27.28 56.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.14 0.495 . . . . 4.8 110.968 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.99 43.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.559 -0.829 . . . . 5.95 112.379 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 p -127.59 158.68 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.298 -0.26 . . . . 5.75 110.298 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -100.94 114.41 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.578 -0.527 . . . . 8.66 109.578 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -62.6 140.23 58.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 10.49 111.894 -174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.58 124.85 0.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.013 -1.089 . . . . 12.81 113.281 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -140.77 -166.32 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.098 0.559 . . . . 15.72 109.576 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 119.066 -0.492 . . . . 17.62 110.112 175.27 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.71 145.81 36.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 10.73 110.352 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 pt -86.14 121.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.182 -0.917 . . . . 9.02 111.574 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.52 112.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.779 . . . . 6.13 109.064 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -84.56 140.39 31.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 7.12 110.312 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.3 mt -134.58 130.87 53.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.274 -0.875 . . . . 5.93 108.643 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 42.9 mtpt -77.31 68.57 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.533 0.206 . . . . 7.12 110.81 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.1 176.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.006 0.816 . . . . 4.37 111.266 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 67.71 -58.6 0.43 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.371 -0.831 . . . . 7.2 111.887 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 25.2 ttmm -130.78 -67.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.877 0.37 . . . . 8.73 110.527 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 70.1 mt -110.01 -67.32 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.219 -0.446 . . . . 6.37 111.034 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 8.7 m 45.94 78.16 0.07 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.034 0.834 . . . . 3.24 111.365 -170.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -88.55 13.62 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.521 -0.763 . . . . 7.35 110.258 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 54.44 0.76 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.957 -1.019 . . . . 4.13 111.038 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -82.77 118.71 23.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.897 0.38 . . . . 5.79 110.014 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.09 115.75 30.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.665 -0.495 . . . . 5.81 109.665 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -111.77 -49.52 2.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.452 -0.795 . . . . 4.8 110.179 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.39 27.08 13.05 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.864 -0.895 . . . . 5.95 110.864 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 127.13 31.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.329 0.585 . . . . 5.75 110.698 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -88.28 121.09 30.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.585 -0.734 . . . . 8.66 109.721 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.73 111.04 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.49 -0.777 . . . . 10.49 110.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.8 28.32 2.64 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.635 -0.793 . . . . 12.81 112.533 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -86.88 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.844 0.354 . . . . 15.72 110.8 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.472 -0.775 . . . . 17.62 110.423 -177.317 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.83 130.67 56.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.731 0.3 . . . . 10.73 110.957 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.24 127.52 33.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 9.02 110.764 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.43 165.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 6.13 110.545 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -85.62 27.21 0.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.132 0.491 . . . . 7.12 110.94 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 tp -110.13 144.26 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 116.026 -0.534 . . . . 5.93 110.346 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -73.63 115.32 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.929 0.395 . . . . 7.12 110.541 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.22 120.4 28.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 4.37 110.434 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -89.05 -68.16 0.79 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.239 -0.652 . . . . 7.2 109.239 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -122.81 -27.4 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 8.73 111.175 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.48 73.77 1.22 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.583 0.706 . . . . 6.37 110.413 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -105.59 101.72 11.22 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.552 -0.749 . . . . 3.24 109.973 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.79 27.1 5.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.13 -0.487 . . . . 7.35 110.321 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.87 96.91 2.07 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.566 -0.826 . . . . 4.13 112.337 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 28.9 p90 -89.18 19.98 3.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.626 0.727 . . . . 5.79 111.272 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' DBB . . . . . 0.424 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.54 97.06 8.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 5.81 110.063 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.0 p -99.71 -40.78 7.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.821 -0.627 . . . . 4.8 110.809 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 15.58 45.87 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.717 -0.754 . . . . 5.95 111.494 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -88.54 124.47 34.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.233 0.539 . . . . 5.75 111.131 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -123.59 0.38 8.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.549 -0.75 . . . . 8.66 109.995 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -121.64 112.78 18.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.667 -0.697 . . . . 10.49 109.179 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.55 150.79 17.47 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.412 -0.813 . . . . 12.81 111.494 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HB2' ' HE2' ' A' ' 30' ' ' LYS . 19.7 ttmm 74.04 -37.25 0.36 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.424 0.689 . . . . 15.72 110.377 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--O 1.246 0.887 0 N-CA-C 108.939 -0.763 . . . . 17.62 108.939 169.065 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.93 90.22 0.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.148 0.905 . . . . 10.73 112.384 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' A' ' 6' ' ' LYS . 52.8 mt -107.72 146.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.638 -0.71 . . . . 9.02 110.714 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 m -91.76 103.91 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.603 0.716 . . . . 6.13 110.828 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HE2' HG21 ' A' ' 4' ' ' ILE . 67.9 mttm -138.12 147.01 43.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 7.12 110.373 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.665 ' HG1' ' HB3' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.86 97.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.278 0.561 . . . . 5.93 110.965 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -144.39 172.36 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.008 -0.996 . . . . 7.12 109.471 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.0 149.42 41.29 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.137 -0.483 . . . . 4.37 110.042 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -132.11 -50.92 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.863 -0.608 . . . . 7.2 110.356 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -95.01 120.07 34.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.326 -0.852 . . . . 8.73 110.177 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt 60.47 28.7 18.37 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.898 0.749 . . . . 6.37 111.049 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.22 139.18 44.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.583 -0.735 . . . . 3.24 110.273 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -93.43 5.11 52.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.393 0.616 . . . . 7.35 110.368 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.45 72.57 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.935 -1.029 . . . . 4.13 112.93 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -104.39 129.3 52.34 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.841 -0.429 . . . . 5.79 109.841 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -100.15 106.47 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.116 -0.947 . . . . 5.81 109.598 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.0 -39.29 9.42 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.202 -0.908 . . . . 4.8 109.119 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.05 49.91 0.85 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.296 -0.865 . . . . 5.95 111.991 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.665 ' HB3' ' HG1' ' A' ' 7' ' ' DBU . 5.9 p -131.69 169.53 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.579 -0.156 . . . . 5.75 110.579 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' PHE . 62.7 m-70 61.35 74.0 0.46 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.59 0.556 . . . . 8.66 110.658 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.7 m-85 72.11 155.81 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.097 -0.956 . . . . 10.49 110.367 -175.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.03 -27.63 55.81 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.489 -0.778 . . . . 12.81 112.334 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 142.67 33.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.141 0.496 . . . . 15.72 110.354 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.6 -0.727 . . . . 17.62 109.917 -178.636 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.18 165.58 12.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 10.73 110.567 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -91.68 109.17 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.553 -0.749 . . . . 9.02 110.928 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.526 HG22 ' HG3' ' A' ' 8' ' ' DBU . 3.5 p -114.56 103.02 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.71 0.766 . . . . 6.13 111.047 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -106.12 146.09 30.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 7.12 109.734 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DBU . . . . . 0.526 ' HG3' HG22 ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.8 mt -80.1 97.19 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 5.93 110.462 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -95.89 92.29 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.004 -0.544 . . . . 7.12 110.082 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.71 97.21 10.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.975 -0.557 . . . . 4.37 109.651 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.38 -51.45 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.577 -0.527 . . . . 7.2 109.577 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -172.42 154.96 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.068 -0.716 . . . . 8.73 109.068 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.7 mt 64.68 28.57 13.09 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.505 0.503 . . . . 6.37 110.453 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . 19.9 m -76.39 162.6 27.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.515 -0.766 . . . . 3.24 111.652 -174.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 17' ' ' ARG . 16.4 mtm180 -104.55 122.01 44.68 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.086 -0.709 . . . . 7.35 109.086 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.32 -28.4 14.61 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.888 -0.885 . . . . 4.13 110.888 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 80.9 t80 -101.86 133.3 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.713 -0.847 . . . . 5.79 108.713 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.1 pt? -71.49 79.83 0.79 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.774 0.797 . . . . 5.81 109.368 174.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.467 ' HB2' ' N ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.87 -35.34 78.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.1 -0.704 . . . . 4.8 109.1 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.89 -86.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.826 -0.909 . . . . 5.95 110.826 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 22' ' ' DBB . 31.6 m 49.05 80.1 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.524 0.678 . . . . 5.75 112.723 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -155.69 81.77 1.03 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.255 -0.884 . . . . 8.66 110.371 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -81.7 172.41 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 10.49 110.166 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.68 91.62 0.18 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.718 -0.673 . . . . 12.81 112.038 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -110.41 -1.39 17.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 15.72 109.313 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.063 -0.971 . . . . 17.62 109.729 -179.044 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.76 19.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.776 -0.647 . . . . 10.73 110.028 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.8 mm -112.1 84.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 9.02 110.074 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -101.88 112.9 36.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.197 -0.668 . . . . 6.13 109.197 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttp 63.28 -174.19 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.777 -0.647 . . . . 7.12 109.387 -170.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.2 mm -98.97 97.24 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.614 -0.721 . . . . 5.93 109.988 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -85.23 91.66 8.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.506 . . . . 7.12 109.862 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.38 158.29 19.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 4.37 110.553 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -80.51 -24.7 39.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 7.2 109.133 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -86.24 175.63 8.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.759 -1.109 . . . . 8.73 108.506 174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.06 76.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.403 0.62 . . . . 6.37 111.128 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 p -105.1 5.28 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 3.24 110.038 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -92.38 20.52 6.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 7.35 110.357 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.12 51.61 0.01 OUTLIER Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.538 -1.025 . . . . 4.13 110.538 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -79.6 114.37 18.47 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.267 -0.466 . . . . 5.79 110.098 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.4 86.17 1.13 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 5.81 111.084 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.09 -26.46 14.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.136 0.493 . . . . 4.8 110.215 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.7 -2.57 55.28 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.599 -0.81 . . . . 5.95 111.955 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 94.95 9.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.448 0.642 . . . . 5.75 110.845 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -86.97 -29.68 21.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.748 -0.66 . . . . 8.66 109.583 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 134.54 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 10.49 110.335 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.84 -107.17 0.2 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.212 -0.755 . . . . 12.81 111.212 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.66 -53.57 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.581 0.705 . . . . 15.72 109.133 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.6 tmmm? . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.682 -1.144 . . . . 17.62 108.479 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.83 128.37 33.95 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.345 -0.242 . . . . 10.73 110.345 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -89.79 139.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 9.02 110.543 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.66 121.3 46.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.322 -0.399 . . . . 6.13 110.321 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -2.84 58.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.423 0.63 . . . . 7.12 110.18 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.514 ' HB ' ' HB2' ' A' ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 mt -89.06 53.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.359 0.6 . . . . 5.93 110.128 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 64.94 114.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 114.997 -1.002 . . . . 7.12 112.221 178.451 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 7' ' ' DBU . . . -71.07 161.89 30.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.28 -0.873 . . . . 4.37 110.56 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.408 ' C ' ' HB3' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -122.42 -75.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 7.2 110.5 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.27 115.87 5.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.78 -0.645 . . . . 8.73 111.366 -177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt 56.91 23.4 8.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.704 -0.68 . . . . 6.37 111.712 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 12' ' ' DAL . 9.8 t -107.55 12.48 27.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.056 0.455 . . . . 3.24 111.005 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -84.13 74.06 10.33 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.014 -0.736 . . . . 7.35 109.014 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.92 91.81 1.52 Allowed Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 114.927 -1.033 . . . . 4.13 110.741 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -63.88 110.24 2.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.121 0.486 . . . . 5.79 110.424 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.51 104.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.575 -0.528 . . . . 5.81 109.575 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.8 p -108.98 -46.87 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 4.8 109.882 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.78 45.73 1.69 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.062 -0.815 . . . . 5.95 111.062 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 p -127.05 166.36 17.75 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.792 0.329 . . . . 5.75 110.854 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -120.05 -9.43 9.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.152 0.501 . . . . 8.66 110.007 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -103.54 118.72 37.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.977 -0.556 . . . . 10.49 110.592 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.07 31.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.452 -0.88 . . . . 12.81 111.66 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -89.04 147.76 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.346 -0.427 . . . . 15.72 110.996 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.762 -0.829 . . . . 17.62 108.762 171.781 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 42.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.334 -0.394 . . . . 10.73 111.023 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' HA ' ' CG ' ' A' ' 8' ' ' DBU . 6.5 tt -101.46 101.36 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 121.485 0.659 . . . . 9.02 110.696 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -116.26 8.62 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 6.13 110.849 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp 174.58 81.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.724 -1.125 . . . . 7.12 109.936 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' DBU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.49 107.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.002 -0.544 . . . . 5.93 110.463 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -81.68 81.73 7.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.437 0.637 . . . . 7.12 110.723 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.26 76.16 9.91 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.353 -0.84 . . . . 4.37 109.941 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' DAL . 11.5 tppt? 169.43 -74.58 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 124.139 0.899 . . . . 7.2 108.651 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -147.81 -73.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.143 -0.935 . . . . 8.73 109.122 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 15' ' ' LEU . 6.1 mp -90.26 -19.72 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 6.37 110.316 176.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 91.7 m 59.95 -160.63 0.29 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.504 -0.771 . . . . 3.24 111.567 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 54.8 mtp180 75.29 13.7 3.1 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.401 0.681 . . . . 7.35 110.032 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.95 154.47 7.72 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.318 -0.855 . . . . 4.13 111.504 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -125.15 145.16 50.08 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.613 -0.514 . . . . 5.79 109.613 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' DBB . . . . . 0.426 ' HG2' ' N ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.13 106.39 5.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.955 -0.387 . . . . 5.81 109.955 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' HB2' ' HG1' ' A' ' 20' ' ' DBB . 0.5 OUTLIER -102.71 -32.86 9.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.999 -0.546 . . . . 4.8 109.935 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' DBB . . . -118.17 33.28 4.93 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.263 -0.735 . . . . 5.95 111.263 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.0 p -95.76 148.72 22.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.17 -0.515 . . . . 5.75 110.33 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.24 87.64 7.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.497 -0.319 . . . . 8.66 110.27 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -69.32 143.04 53.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.146 -0.687 . . . . 10.49 109.146 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.89 -125.37 2.69 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.567 -1.197 . . . . 12.81 110.518 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -160.24 -45.35 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.853 0.359 . . . . 15.72 110.615 176.043 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' OXT' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.821 -0.609 . . . . 17.62 109.589 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.81 118.34 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.549 -0.751 . . . . 10.73 110.045 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' LYS . 9.6 tp -146.28 151.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.733 -0.84 . . . . 9.02 108.733 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 m -71.09 21.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.957 0.725 . . . . 6.13 112.957 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' ILE . 2.2 mptp? 53.55 -149.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.017 0.527 . . . . 7.12 111.266 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DBU . . . . . 0.771 ' HB ' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt 58.07 94.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.681 -1.145 . . . . 5.93 111.611 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -113.48 13.85 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.893 0.854 . . . . 7.12 109.732 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.6 89.65 6.23 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.432 -1.258 . . . . 4.37 110.989 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -116.5 -28.68 6.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 7.2 111.397 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.771 ' HE2' ' HB ' ' A' ' 7' ' ' DBU . 29.7 mtpp -132.92 133.97 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 8.73 110.597 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp 61.32 19.21 9.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.187 -0.915 . . . . 6.37 112.706 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.5 m -84.17 141.05 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.343 -0.223 . . . . 3.24 110.444 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 67.39 16.69 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.028 0.83 . . . . 7.35 111.246 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.3 -17.51 58.83 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.525 -1.03 . . . . 4.13 110.525 171.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -129.33 127.8 41.84 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.113 -0.699 . . . . 5.79 109.113 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.2 tp -129.31 110.69 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.903 -0.777 . . . . 5.81 108.903 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -109.14 -44.24 3.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.123 -0.944 . . . . 4.8 110.128 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.83 23.33 36.49 Favored Glycine 0 N--CA 1.454 -0.166 0 CA-C-N 115.741 -0.663 . . . . 5.95 111.472 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -95.42 134.78 37.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 5.75 111.037 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -124.95 12.0 8.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.848 -0.614 . . . . 8.66 111.179 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.1 110.8 20.93 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.831 -0.622 . . . . 10.49 109.757 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.18 160.98 27.36 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.68 -0.771 . . . . 12.81 111.972 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -107.52 -38.08 6.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.639 0.257 . . . . 15.72 110.867 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp . . . . . 0 C--O 1.242 0.68 0 CA-C-O 118.453 -0.785 . . . . 17.62 110.913 -177.315 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.33 111.42 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.521 0.513 . . . . 10.73 110.042 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 tt -74.9 123.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.338 0.589 . . . . 9.02 109.412 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.21 152.67 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 6.13 111.867 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -107.97 144.84 34.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.756 -0.657 . . . . 7.12 110.441 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.6 mp -84.36 115.72 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.543 -0.753 . . . . 5.93 109.719 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -91.95 126.61 37.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.956 -0.566 . . . . 7.12 110.523 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.8 88.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 4.37 110.324 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -59.69 -29.93 68.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.029 0.443 . . . . 7.2 110.47 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -125.48 -148.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 8.73 109.651 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.45 34.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.34 0.496 . . . . 6.37 112.34 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.714 -0.221 . . . . 3.24 110.757 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.9 79.51 4.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.325 -0.398 . . . . 7.35 110.38 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 60.36 7.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.753 -0.737 . . . . 4.13 111.394 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 20' ' ' DBB . 20.7 t80 -126.85 154.81 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.451 -0.574 . . . . 5.79 109.451 -176.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' DBB . . . . . 0.455 ' HG3' ' CD2' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.94 86.99 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.299 -0.864 . . . . 5.81 110.761 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.3 p -74.55 -55.99 5.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.106 -0.497 . . . . 4.8 109.891 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.32 61.65 0.89 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.646 -0.788 . . . . 5.95 112.159 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -153.59 152.32 30.75 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.525 -0.397 . . . . 5.75 110.824 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -172.49 44.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.381 -0.97 . . . . 8.66 108.381 173.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -151.85 135.49 16.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.451 -0.795 . . . . 10.49 109.185 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.28 8.8 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.357 -0.838 . . . . 12.81 111.091 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -118.21 136.12 53.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.321 0.581 . . . . 15.72 110.11 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.73 -0.668 . . . . 17.62 109.627 -179.398 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 149.42 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.639 -0.71 . . . . 10.73 110.117 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.558 HG13 ' HE3' ' A' ' 10' ' ' LYS . 39.2 pt -85.6 156.24 3.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.099 -0.501 . . . . 9.02 110.016 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.7 t 67.69 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.307 0.575 . . . . 6.13 110.583 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -57.37 131.3 49.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.571 -0.74 . . . . 7.12 110.317 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 pt -62.87 119.79 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-O 121.637 0.732 . . . . 5.93 111.98 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HE3' HG13 ' A' ' 4' ' ' ILE . 17.6 pttm -153.0 134.39 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.406 -0.816 . . . . 7.12 109.745 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.61 149.17 40.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 4.37 111.558 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.35 -67.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.254 -0.276 . . . . 7.2 110.254 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -131.44 -50.19 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.688 0.28 . . . . 8.73 110.966 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.0 -38.63 2.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.251 -0.431 . . . . 6.37 111.179 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.99 39.59 29.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.291 0.567 . . . . 3.24 111.59 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 30.5 ptt180 -70.16 102.61 2.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.635 0.731 . . . . 7.35 110.628 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 128.32 -22.78 5.26 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.129 -0.941 . . . . 4.13 111.391 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -93.45 111.86 23.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 5.79 109.742 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' DBB . . . . . 0.469 ' HG1' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.0 tp -111.77 83.29 1.76 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.0 0.428 . . . . 5.81 109.89 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' HB2' ' HG1' ' A' ' 20' ' ' DBB . 4.0 m -76.34 -65.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.656 -0.702 . . . . 4.8 110.624 -177.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.7 51.06 0.72 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.572 -0.611 . . . . 5.95 111.572 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.2 p -106.92 144.24 33.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.898 0.38 . . . . 5.75 110.911 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -128.63 101.84 6.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.776 -0.453 . . . . 8.66 109.776 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -86.5 124.66 33.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.174 -0.466 . . . . 10.49 110.74 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.96 107.67 3.24 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.047 -0.597 . . . . 12.81 111.717 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.26 104.28 10.7 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.586 -0.361 . . . . 15.72 110.527 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttm . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.11 -0.948 . . . . 17.62 109.621 177.76 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.4 6.94 6.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.729 -0.669 . . . . 10.73 111.118 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.78 39.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.876 0.846 . . . . 9.02 109.69 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.81 71.38 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 122.667 1.222 . . . . 6.13 110.457 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -103.68 14.17 31.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.822 -1.081 . . . . 7.12 110.475 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.71 72.24 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.337 1.065 . . . . 5.93 110.227 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.8 91.58 3.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.91 -1.041 . . . . 7.12 109.207 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.42 -177.07 6.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.654 . . . . 4.37 110.127 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 54.16 -90.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.022 -0.99 . . . . 7.2 112.334 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -135.31 11.85 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.967 0.413 . . . . 8.73 110.045 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.15 -20.65 18.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 6.37 110.894 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -130.16 167.88 17.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.609 -0.723 . . . . 3.24 110.489 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -112.8 109.15 18.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.599 -0.519 . . . . 7.35 109.599 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.03 -61.2 0.51 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.82 -0.705 . . . . 4.13 112.055 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -103.16 113.63 27.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.419 0.628 . . . . 5.79 110.687 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.62 108.79 20.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.555 -0.748 . . . . 5.81 110.111 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 24' ' ' GLY . 11.0 p -93.83 -73.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.993 0.425 . . . . 4.8 110.47 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . . . -95.66 29.39 9.84 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.883 -0.599 . . . . 5.95 111.768 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.38 2.78 10.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.836 0.827 . . . . 5.75 111.34 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -101.06 -2.95 30.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.643 -1.162 . . . . 8.66 109.541 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.14 90.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.436 -0.95 . . . . 10.49 108.436 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.75 30.89 78.24 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.825 -0.91 . . . . 12.81 110.825 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -96.95 162.16 13.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.08 -0.56 . . . . 15.72 111.179 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.34 -0.838 . . . . 17.62 108.983 174.688 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.42 -164.23 1.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.308 -0.86 . . . . 10.73 110.233 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.98 83.32 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 121.59 0.71 . . . . 9.02 109.789 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -130.21 146.13 34.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.153 -0.93 . . . . 6.13 109.236 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 38.7 ttmt -77.86 115.67 17.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.935 -0.394 . . . . 7.12 109.935 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 pt -97.59 106.42 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.69 -0.686 . . . . 5.93 110.265 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -116.88 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.98 -0.554 . . . . 7.12 110.942 -176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.48 122.48 45.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.221 -0.445 . . . . 4.37 110.488 176.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' DAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm 68.46 -67.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.862 0.865 . . . . 7.2 112.131 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -95.2 105.6 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.051 0.389 . . . . 8.73 112.051 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt 67.03 -2.15 1.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.693 0.997 . . . . 6.37 113.693 170.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 85.9 m -70.61 113.55 7.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 3.24 110.25 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -111.05 17.05 20.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.012 0.434 . . . . 7.35 110.46 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.04 -34.1 89.04 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.566 -0.743 . . . . 4.13 112.018 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -95.82 26.0 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.941 0.876 . . . . 5.79 110.408 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.2 99.89 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 5.81 110.201 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.6 p -84.12 -34.95 24.0 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.466 0.479 . . . . 4.8 110.667 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.45 -5.6 51.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.193 -1.004 . . . . 5.95 112.972 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.92 94.02 5.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.217 0.532 . . . . 5.75 111.365 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -111.01 17.76 20.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.023 -0.535 . . . . 8.66 110.441 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 69.89 122.25 0.03 OUTLIER 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.294 -0.866 . . . . 10.49 111.709 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.47 43.4 94.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.845 -0.693 . . . . 12.81 111.802 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -144.23 123.9 13.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.101 0.477 . . . . 15.72 111.294 -174.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 17.62 109.127 171.638 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.61 -11.93 33.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.936 -0.575 . . . . 10.73 110.768 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt 65.64 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.316 -0.856 . . . . 9.02 110.827 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' HB ' ' HG3' ' A' ' 8' ' ' DBU . 48.2 t -92.09 137.28 22.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 6.13 109.996 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -76.19 125.39 29.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.633 -0.506 . . . . 7.12 109.633 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' DBU . . . . . 0.589 ' HG3' ' HB ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 11' ' ' ALA . 7.4 tp -75.24 144.53 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.747 -0.661 . . . . 5.93 109.853 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 2.9 mptp? -96.78 29.24 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.457 0.646 . . . . 7.12 110.172 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -153.75 136.3 15.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.225 -0.898 . . . . 4.37 109.942 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -88.69 -79.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 7.2 111.29 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -116.07 -64.33 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.451 . . . . 8.73 111.394 -175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.91 -56.34 2.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 6.37 110.873 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.2 m 55.73 12.84 0.9 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.196 -0.911 . . . . 3.24 112.615 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -118.36 8.82 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.784 0.802 . . . . 7.35 109.552 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.24 15.2 25.44 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.335 -1.302 . . . . 4.13 111.237 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -73.32 126.06 29.25 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 109.667 -0.494 . . . . 5.79 109.667 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.1 tp -107.02 107.6 18.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 5.81 109.752 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -100.7 -45.2 5.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.423 -0.808 . . . . 4.8 110.445 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.59 9.63 55.72 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.245 -0.742 . . . . 5.95 111.245 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -79.9 106.97 12.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 5.75 110.565 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -78.19 -52.17 9.1 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.552 -0.749 . . . . 8.66 109.55 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -121.07 4.52 10.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.415 0.626 . . . . 10.49 109.984 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.37 98.51 1.46 Allowed Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.027 -0.606 . . . . 12.81 111.621 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -81.75 93.84 6.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.257 0.551 . . . . 15.72 110.235 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.38 -0.819 . . . . 17.62 109.658 -178.744 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.81 89.08 0.09 Allowed 'General case' 0 C--O 1.237 0.429 0 O-C-N 123.9 0.75 . . . . 10.73 112.044 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt -100.24 115.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.396 0.617 . . . . 9.02 111.404 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -105.8 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.772 -0.649 . . . . 6.13 109.977 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 54.3 73.29 0.4 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.621 -0.718 . . . . 7.12 110.939 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.1 mt 47.6 61.09 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.928 0.87 . . . . 5.93 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 31.9 mmtp -95.87 87.14 4.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.446 -0.797 . . . . 7.12 109.294 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.85 155.19 41.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.383 -0.826 . . . . 4.37 110.561 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.39 -76.7 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.609 -0.723 . . . . 7.2 110.607 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.87 -54.55 2.13 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.725 -0.671 . . . . 8.73 109.8 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -105.75 118.38 36.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.885 -0.598 . . . . 6.37 110.162 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.0 m -110.3 15.51 22.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.697 0.761 . . . . 3.24 110.168 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -119.84 126.02 49.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.225 -0.898 . . . . 7.35 110.369 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.51 22.08 9.34 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.704 -0.76 . . . . 4.13 112.087 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -82.19 166.53 19.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 5.79 110.564 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 tp -92.65 77.95 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.447 -0.946 . . . . 5.81 108.447 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.9 m -64.88 -53.71 42.36 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.273 0.558 . . . . 4.8 109.626 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.47 18.42 56.42 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.391 -0.822 . . . . 5.95 111.606 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 m -75.36 83.27 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.593 0.711 . . . . 5.75 110.832 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -140.97 15.11 2.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.817 -1.083 . . . . 8.66 109.245 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -132.1 130.82 41.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 10.49 110.164 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.07 154.03 14.2 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.35 -0.7 . . . . 12.81 111.35 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -150.33 124.73 9.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.882 0.372 . . . . 15.72 110.495 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.871 -0.585 . . . . 17.62 109.855 178.678 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -115.06 134.73 54.92 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 10.73 110.078 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 54.3 mt -106.51 98.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.133 -0.485 . . . . 9.02 110.965 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.9 t 66.27 116.25 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.822 0.82 . . . . 6.13 112.347 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HE2' ' HB1' ' A' ' 2' ' ' ALA . 64.4 mttm -91.87 11.88 23.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 7.12 110.105 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.19 118.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.748 -0.66 . . . . 5.93 110.553 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -80.75 155.55 26.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.038 -0.528 . . . . 7.12 109.704 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 170.53 0.27 Allowed 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.907 0.754 . . . . 4.37 111.29 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.443 ' HB1' ' O ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -117.9 -36.64 3.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.968 -0.56 . . . . 7.2 109.969 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -76.61 83.34 3.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 8.73 110.753 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt 65.96 11.08 7.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.767 -0.651 . . . . 6.37 112.193 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' O ' ' HB1' ' A' ' 12' ' ' DAL . 20.6 p -120.16 28.8 7.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 3.24 111.258 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -83.77 -0.77 52.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.937 0.399 . . . . 7.35 111.377 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.92 -23.38 3.13 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-N 115.703 -0.68 . . . . 4.13 113.649 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -84.02 126.24 32.85 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.822 0.344 . . . . 5.79 110.583 -177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.78 95.51 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.549 -0.538 . . . . 5.81 109.549 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 p -92.24 -63.09 1.28 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.588 -0.733 . . . . 4.8 109.462 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.94 52.76 4.6 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.185 -0.766 . . . . 5.95 111.185 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.46 136.87 31.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.175 0.512 . . . . 5.75 110.746 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -140.7 45.54 1.81 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.564 -0.902 . . . . 8.66 108.564 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -83.85 179.74 7.49 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.266 -0.879 . . . . 10.49 110.903 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.4 43.66 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 111.172 -0.771 . . . . 12.81 111.172 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -146.05 150.32 35.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.345 -0.427 . . . . 15.72 110.014 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.279 -0.638 . . . . 17.62 109.279 172.041 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.61 -49.26 4.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 10.73 109.965 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . 0.403 ' C ' ' H ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.619 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -81.13 16.38 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.571 0.701 . . . . 9.02 111.867 -175.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 3' ' ' DHA . 4.4 m -99.81 76.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.406 -0.815 . . . . 6.13 110.906 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -73.92 92.42 2.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.678 -0.692 . . . . 7.12 110.02 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -96.06 114.74 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.148 -0.686 . . . . 5.93 109.148 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -77.93 69.68 4.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.281 0.562 . . . . 7.12 110.31 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.42 99.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.374 -1.284 . . . . 4.37 108.893 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.44 87.6 2.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.434 -0.803 . . . . 7.2 110.031 -178.074 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 83.6 tttt 73.64 149.58 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.059 0.849 . . . . 8.73 110.758 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 94.6 mt 75.84 -61.59 0.46 Allowed 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 123.762 0.825 . . . . 6.37 110.619 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.2 p -74.18 103.46 4.62 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.763 -0.458 . . . . 3.24 109.763 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 61.6 22.59 13.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.806 0.813 . . . . 7.35 110.087 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.38 47.63 0.76 Allowed Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.216 -1.154 . . . . 4.13 110.216 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 4.5 t80 -106.05 -173.72 2.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.019 -0.734 . . . . 5.79 109.019 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . 0.407 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.3 pt? -97.07 111.64 23.77 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.339 0.59 . . . . 5.81 110.471 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 p -87.08 -41.46 13.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.229 0.538 . . . . 4.8 109.925 175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.98 43.37 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.725 -0.67 . . . . 5.95 111.954 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.5 p -137.07 175.36 9.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.891 -0.411 . . . . 5.75 109.891 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 66.16 93.61 0.07 Allowed 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.543 0.687 . . . . 8.66 110.819 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -95.15 152.27 18.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.586 . . . . 10.49 110.302 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -122.34 5.08 Favored Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.341 -0.704 . . . . 12.81 111.341 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -129.53 1.48 5.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.254 0.549 . . . . 15.72 110.46 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.916 -0.564 . . . . 17.62 110.144 -174.604 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.13 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.45 -0.795 . . . . 10.73 111.618 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.05 97.65 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.191 -0.458 . . . . 9.02 109.785 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.18 107.32 19.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.578 0.704 . . . . 6.13 110.451 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.66 9.07 21.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.324 -0.853 . . . . 7.12 110.094 -177.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.4 mt -71.27 132.06 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.938 -0.574 . . . . 5.93 110.644 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.72 143.96 28.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.447 -0.342 . . . . 7.12 110.471 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.18 122.84 28.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.444 -0.344 . . . . 4.37 110.791 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 61.07 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.174 -0.921 . . . . 7.2 111.089 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -141.76 -56.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.186 0.517 . . . . 8.73 111.045 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.73 77.7 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.284 0.564 . . . . 6.37 111.616 -172.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.5 m -121.99 14.78 10.74 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.829 -0.804 . . . . 3.24 108.829 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -72.45 102.68 3.26 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.214 -0.903 . . . . 7.35 109.993 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.24 -14.75 7.8 Favored Glycine 0 C--N 1.318 -0.446 0 N-CA-C 111.511 -0.636 . . . . 4.13 111.511 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.94 153.81 21.92 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.571 -0.529 . . . . 5.79 109.571 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -104.81 103.31 12.9 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.615 -0.72 . . . . 5.81 110.025 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.5 p -98.56 -68.85 0.78 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.645 -0.707 . . . . 4.8 110.397 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.83 34.68 5.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.835 -0.698 . . . . 5.95 111.564 177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.27 -1.04 57.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.315 0.579 . . . . 5.75 112.016 -176.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -79.89 -54.46 5.8 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.191 -0.913 . . . . 8.66 110.265 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -141.36 113.51 8.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.4 -0.818 . . . . 10.49 110.432 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.24 -93.82 0.21 Allowed Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.282 -0.872 . . . . 12.81 111.29 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 56.66 64.15 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.637 0.732 . . . . 15.72 110.275 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.669 -0.681 . . . . 17.62 110.214 -179.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 95.99 2.02 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.546 -0.752 . . . . 10.73 109.269 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.2 mt -74.78 104.42 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.206 -0.906 . . . . 9.02 108.589 171.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.18 135.2 26.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.411 0.624 . . . . 6.13 111.656 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -90.66 34.5 0.9 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.671 0.748 . . . . 7.12 109.691 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.756 HD13 ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -100.16 127.11 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 115.9 -0.591 . . . . 5.93 109.906 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.756 ' HB2' HD13 ' A' ' 9' ' ' ILE . 4.4 tptp 58.99 34.34 23.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.671 -0.695 . . . . 7.12 110.636 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.69 74.53 7.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.649 -0.705 . . . . 4.37 110.466 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -101.1 -4.53 27.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.833 -0.621 . . . . 7.2 111.671 -176.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.3 125.91 0.42 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.412 0.625 . . . . 8.73 112.431 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt 59.04 23.77 11.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.961 -1.018 . . . . 6.37 113.223 165.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.0 41.16 1.24 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.192 0.52 . . . . 3.24 111.175 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -92.17 -2.64 56.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.462 0.649 . . . . 7.35 109.788 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.42 85.47 0.12 Allowed Glycine 0 C--N 1.314 -0.647 0 CA-C-N 114.581 -1.191 . . . . 4.13 111.132 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.19 168.34 14.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.172 0.51 . . . . 5.79 110.315 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 tp -111.83 104.57 12.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.171 -0.468 . . . . 5.81 109.921 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.23 -60.88 1.59 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.478 -0.783 . . . . 4.8 110.628 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.43 23.12 37.04 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.671 -0.695 . . . . 5.95 111.377 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 p -75.7 179.07 5.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.409 -0.396 . . . . 5.75 110.891 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -124.48 19.63 8.8 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.249 -0.282 . . . . 8.66 110.453 -176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.4 t80 66.11 11.39 7.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.603 0.716 . . . . 10.49 110.991 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.51 155.28 35.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.197 -0.91 . . . . 12.81 112.419 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.18 -14.16 34.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.802 0.334 . . . . 15.72 111.003 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.226 -0.892 . . . . 17.62 110.767 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.63 21.08 9.49 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.177 -0.919 . . . . 10.73 111.574 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -99.3 -179.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 9.02 110.303 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -76.06 100.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.004 0.431 . . . . 6.13 110.033 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -90.81 21.87 3.89 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.122 -0.49 . . . . 7.12 111.193 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.703 ' HB ' ' HA ' ' A' ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.3 mt -78.52 89.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.594 -0.73 . . . . 5.93 111.116 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 58.74 64.6 1.4 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.002 -0.999 . . . . 7.12 110.901 175.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.68 -165.91 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.764 -0.653 . . . . 4.37 110.406 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.703 ' HA ' ' HB ' ' A' ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -113.5 150.69 32.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.73 -0.47 . . . . 7.2 109.73 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 69.89 27.64 4.45 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.66 0.6 . . . . 8.73 111.057 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.68 76.45 0.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.352 0.596 . . . . 6.37 111.599 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.2 p -84.49 106.85 16.39 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.522 -0.763 . . . . 3.24 110.221 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -118.75 23.5 11.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.479 0.657 . . . . 7.35 110.764 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.66 67.14 1.54 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.317 -0.856 . . . . 4.13 111.673 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -92.4 28.22 2.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.685 0.755 . . . . 5.79 111.359 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -95.08 98.8 10.92 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.852 0.358 . . . . 5.81 110.486 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.81 -39.34 12.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.032 -0.531 . . . . 4.8 110.403 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 65.14 0.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.058 -0.817 . . . . 5.95 111.058 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -137.63 147.22 44.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 5.75 111.271 -173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -106.79 102.64 12.0 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.99 -0.55 . . . . 8.66 109.759 174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -130.17 131.71 45.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.046 -0.525 . . . . 10.49 110.434 -177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -29.69 69.56 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.841 -0.904 . . . . 12.81 110.841 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -104.98 132.86 50.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.157 -0.522 . . . . 15.72 110.078 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.644 -0.693 . . . . 17.62 109.455 173.645 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.18 -35.5 41.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.007 -0.542 . . . . 10.73 110.255 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 tp -104.53 116.74 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-O 121.333 0.587 . . . . 9.02 111.039 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.06 106.18 20.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.266 -0.642 . . . . 6.13 109.266 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.2 -17.37 40.82 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.088 0.867 . . . . 7.12 112.647 -171.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.5 tt -100.53 137.74 27.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 114.991 -1.004 . . . . 5.93 111.373 -172.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 2.7 mptp? -111.74 95.69 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.391 -0.596 . . . . 7.12 109.391 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.57 107.5 18.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.331 -0.395 . . . . 4.37 111.16 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 61.16 23.56 13.75 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.394 0.616 . . . . 7.2 110.894 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -161.83 74.87 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.405 0.622 . . . . 8.73 110.283 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt 63.49 29.01 15.46 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.21 -0.905 . . . . 6.37 111.07 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.9 122.54 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.496 -0.32 . . . . 3.24 110.217 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.49 25.53 7.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.311 -0.404 . . . . 7.35 110.749 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.01 -12.0 80.33 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.938 -0.648 . . . . 4.13 113.315 -176.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -90.76 104.4 16.99 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 117.119 0.459 . . . . 5.79 110.425 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.67 82.88 0.86 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.592 -0.892 . . . . 5.81 108.592 168.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.46 -27.28 56.09 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.14 0.495 . . . . 4.8 110.968 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.99 43.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.559 -0.829 . . . . 5.95 112.379 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.4 p -127.59 158.68 36.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.298 -0.26 . . . . 5.75 110.298 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -100.94 114.41 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.578 -0.527 . . . . 8.66 109.578 174.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -62.6 140.23 58.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 10.49 111.894 -174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.58 124.85 0.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.013 -1.089 . . . . 12.81 113.281 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -140.77 -166.32 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 123.098 0.559 . . . . 15.72 109.576 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 119.066 -0.492 . . . . 17.62 110.112 175.27 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.71 145.81 36.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 10.73 110.352 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 pt -86.14 121.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.182 -0.917 . . . . 9.02 111.574 -175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.52 112.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.485 -0.779 . . . . 6.13 109.064 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -84.56 140.39 31.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 7.12 110.312 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.3 mt -134.58 130.87 53.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.274 -0.875 . . . . 5.93 108.643 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 42.9 mtpt -77.31 68.57 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.533 0.206 . . . . 7.12 110.81 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 63.1 176.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.006 0.816 . . . . 4.37 111.266 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.5 mttt 67.71 -58.6 0.43 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.371 -0.831 . . . . 7.2 111.887 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' HG ' ' A' ' 15' ' ' LEU . 25.2 ttmm -130.78 -67.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.877 0.37 . . . . 8.73 110.527 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' HG2' ' A' ' 14' ' ' LYS . 70.1 mt -110.01 -67.32 1.0 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.219 -0.446 . . . . 6.37 111.034 -175.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 8.7 m 45.94 78.16 0.07 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.034 0.834 . . . . 3.24 111.365 -170.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -88.55 13.62 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.521 -0.763 . . . . 7.35 110.258 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.14 54.44 0.76 Allowed Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 114.957 -1.019 . . . . 4.13 111.038 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -82.77 118.71 23.58 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.897 0.38 . . . . 5.79 110.014 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.09 115.75 30.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.665 -0.495 . . . . 5.81 109.665 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -111.77 -49.52 2.98 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.452 -0.795 . . . . 4.8 110.179 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.39 27.08 13.05 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.864 -0.895 . . . . 5.95 110.864 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.62 127.13 31.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.329 0.585 . . . . 5.75 110.698 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -88.28 121.09 30.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.585 -0.734 . . . . 8.66 109.721 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -66.73 111.04 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.49 -0.777 . . . . 10.49 110.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.8 28.32 2.64 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.635 -0.793 . . . . 12.81 112.533 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -86.88 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.844 0.354 . . . . 15.72 110.8 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.8 mttm . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.472 -0.775 . . . . 17.62 110.423 -177.317 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.83 130.67 56.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.731 0.3 . . . . 10.73 110.957 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.24 127.52 33.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 9.02 110.764 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.43 165.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.805 -0.634 . . . . 6.13 110.545 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -85.62 27.21 0.86 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.132 0.491 . . . . 7.12 110.94 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 tp -110.13 144.26 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 116.026 -0.534 . . . . 5.93 110.346 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -73.63 115.32 12.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.929 0.395 . . . . 7.12 110.541 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.22 120.4 28.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.76 -0.654 . . . . 4.37 110.434 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -89.05 -68.16 0.79 Allowed 'General case' 0 C--O 1.221 -0.411 0 N-CA-C 109.239 -0.652 . . . . 7.2 109.239 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -122.81 -27.4 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 8.73 111.175 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -103.48 73.77 1.22 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.583 0.706 . . . . 6.37 110.413 -175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -105.59 101.72 11.22 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.552 -0.749 . . . . 3.24 109.973 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -98.79 27.1 5.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.13 -0.487 . . . . 7.35 110.321 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.87 96.91 2.07 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.566 -0.826 . . . . 4.13 112.337 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 20' ' ' DBB . 28.9 p90 -89.18 19.98 3.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.626 0.727 . . . . 5.79 111.272 -176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . 0.424 ' HB2' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 tp -98.54 97.06 8.41 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.003 0.43 . . . . 5.81 110.063 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.0 p -99.71 -40.78 7.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.821 -0.627 . . . . 4.8 110.809 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.47 15.58 45.87 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.717 -0.754 . . . . 5.95 111.494 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 p -88.54 124.47 34.05 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.233 0.539 . . . . 5.75 111.131 -178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -123.59 0.38 8.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.549 -0.75 . . . . 8.66 109.995 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -121.64 112.78 18.86 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.667 -0.697 . . . . 10.49 109.179 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.55 150.79 17.47 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.412 -0.813 . . . . 12.81 111.494 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HB2' ' HE2' ' A' ' 30' ' ' LYS . 19.7 ttmm 74.04 -37.25 0.36 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.424 0.689 . . . . 15.72 110.377 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--O 1.246 0.887 0 N-CA-C 108.939 -0.763 . . . . 17.62 108.939 169.065 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.93 90.22 0.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 124.148 0.905 . . . . 10.73 112.384 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.472 HG21 ' HE2' ' A' ' 6' ' ' LYS . 52.8 mt -107.72 146.66 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.638 -0.71 . . . . 9.02 110.714 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.7 m -91.76 103.91 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.603 0.716 . . . . 6.13 110.828 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HE2' HG21 ' A' ' 4' ' ' ILE . 67.9 mttm -138.12 147.01 43.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.62 . . . . 7.12 110.373 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.665 ' HG1' ' HB3' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.86 97.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.278 0.561 . . . . 5.93 110.965 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -144.39 172.36 13.05 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.008 -0.996 . . . . 7.12 109.471 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.0 149.42 41.29 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.137 -0.483 . . . . 4.37 110.042 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -132.11 -50.92 0.95 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.863 -0.608 . . . . 7.2 110.356 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -95.01 120.07 34.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.326 -0.852 . . . . 8.73 110.177 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.0 mt 60.47 28.7 18.37 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.898 0.749 . . . . 6.37 111.049 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.22 139.18 44.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.583 -0.735 . . . . 3.24 110.273 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -93.43 5.11 52.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.393 0.616 . . . . 7.35 110.368 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.45 72.57 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 114.935 -1.029 . . . . 4.13 112.93 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -104.39 129.3 52.34 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.841 -0.429 . . . . 5.79 109.841 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.1 tp -100.15 106.47 18.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.116 -0.947 . . . . 5.81 109.598 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.0 -39.29 9.42 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.202 -0.908 . . . . 4.8 109.119 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.05 49.91 0.85 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.296 -0.865 . . . . 5.95 111.991 176.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.665 ' HB3' ' HG1' ' A' ' 7' ' ' DBU . 5.9 p -131.69 169.53 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.579 -0.156 . . . . 5.75 110.579 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' PHE . 62.7 m-70 61.35 74.0 0.46 Allowed 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.59 0.556 . . . . 8.66 110.658 -175.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 97.7 m-85 72.11 155.81 0.16 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.097 -0.956 . . . . 10.49 110.367 -175.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.03 -27.63 55.81 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.489 -0.778 . . . . 12.81 112.334 -176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 142.67 33.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.141 0.496 . . . . 15.72 110.354 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? . . . . . 0 C--O 1.252 1.188 0 CA-C-N 115.6 -0.727 . . . . 17.62 109.917 -178.636 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.18 165.58 12.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.338 -0.846 . . . . 10.73 110.567 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.6 pt -91.68 109.17 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.553 -0.749 . . . . 9.02 110.928 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.526 HG22 ' HG3' ' A' ' 8' ' ' DBU . 3.5 p -114.56 103.02 14.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.71 0.766 . . . . 6.13 111.047 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -106.12 146.09 30.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 7.12 109.734 -176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . 0.526 ' HG3' HG22 ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.8 mt -80.1 97.19 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 5.93 110.462 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -95.89 92.29 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.004 -0.544 . . . . 7.12 110.082 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.71 97.21 10.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.975 -0.557 . . . . 4.37 109.651 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.38 -51.45 13.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.577 -0.527 . . . . 7.2 109.577 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -172.42 154.96 3.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.068 -0.716 . . . . 8.73 109.068 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.7 mt 64.68 28.57 13.09 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.505 0.503 . . . . 6.37 110.453 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . 19.9 m -76.39 162.6 27.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.515 -0.766 . . . . 3.24 111.652 -174.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 17' ' ' ARG . 16.4 mtm180 -104.55 122.01 44.68 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 109.086 -0.709 . . . . 7.35 109.086 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.32 -28.4 14.61 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.888 -0.885 . . . . 4.13 110.888 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 80.9 t80 -101.86 133.3 46.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.713 -0.847 . . . . 5.79 108.713 175.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD23 ' H ' ' A' ' 21' ' ' LEU . 1.1 pt? -71.49 79.83 0.79 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.774 0.797 . . . . 5.81 109.368 174.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.467 ' HB2' ' N ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.87 -35.34 78.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.1 -0.704 . . . . 4.8 109.1 170.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.89 -86.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 110.826 -0.909 . . . . 5.95 110.826 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' N ' ' HB2' ' A' ' 22' ' ' DBB . 31.6 m 49.05 80.1 0.07 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.524 0.678 . . . . 5.75 112.723 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -155.69 81.77 1.03 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.255 -0.884 . . . . 8.66 110.371 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -81.7 172.41 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.785 -0.643 . . . . 10.49 110.166 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.68 91.62 0.18 Allowed Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.718 -0.673 . . . . 12.81 112.038 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -110.41 -1.39 17.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 15.72 109.313 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.063 -0.971 . . . . 17.62 109.729 -179.044 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.76 19.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.776 -0.647 . . . . 10.73 110.028 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.8 mm -112.1 84.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 9.02 110.074 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -101.88 112.9 36.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.197 -0.668 . . . . 6.13 109.197 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 mttp 63.28 -174.19 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.777 -0.647 . . . . 7.12 109.387 -170.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.2 mm -98.97 97.24 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 115.614 -0.721 . . . . 5.93 109.988 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -85.23 91.66 8.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.086 -0.506 . . . . 7.12 109.862 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.38 158.29 19.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 4.37 110.553 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -80.51 -24.7 39.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.377 -0.829 . . . . 7.2 109.133 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -86.24 175.63 8.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.759 -1.109 . . . . 8.73 108.506 174.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.06 76.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.403 0.62 . . . . 6.37 111.128 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.9 p -105.1 5.28 32.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 3.24 110.038 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -92.38 20.52 6.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.453 -0.794 . . . . 7.35 110.357 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 152.12 51.61 0.01 OUTLIER Glycine 0 CA--C 1.503 -0.707 0 N-CA-C 110.538 -1.025 . . . . 4.13 110.538 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -79.6 114.37 18.47 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.267 -0.466 . . . . 5.79 110.098 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.4 86.17 1.13 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 5.81 111.084 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.2 p -99.09 -26.46 14.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.136 0.493 . . . . 4.8 110.215 177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.7 -2.57 55.28 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.599 -0.81 . . . . 5.95 111.955 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.4 p -85.77 94.95 9.25 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.448 0.642 . . . . 5.75 110.845 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -86.97 -29.68 21.84 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.748 -0.66 . . . . 8.66 109.583 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 134.54 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.616 -0.72 . . . . 10.49 110.335 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.84 -107.17 0.2 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.212 -0.755 . . . . 12.81 111.212 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.66 -53.57 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.581 0.705 . . . . 15.72 109.133 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 4.6 tmmm? . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.682 -1.144 . . . . 17.62 108.479 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.83 128.37 33.95 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 110.345 -0.242 . . . . 10.73 110.345 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -89.79 139.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.905 -0.589 . . . . 9.02 110.543 179.013 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.66 121.3 46.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.322 -0.399 . . . . 6.13 110.321 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -2.84 58.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.423 0.63 . . . . 7.12 110.18 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.514 ' HB ' ' HB2' ' A' ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 mt -89.06 53.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.359 0.6 . . . . 5.93 110.128 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 64.94 114.13 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 114.997 -1.002 . . . . 7.12 112.221 178.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 7' ' ' DBU . . . -71.07 161.89 30.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.28 -0.873 . . . . 4.37 110.56 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.408 ' C ' ' HB3' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -122.42 -75.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.93 -0.577 . . . . 7.2 110.5 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.27 115.87 5.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.78 -0.645 . . . . 8.73 111.366 -177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt 56.91 23.4 8.16 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.704 -0.68 . . . . 6.37 111.712 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 12' ' ' DAL . 9.8 t -107.55 12.48 27.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.056 0.455 . . . . 3.24 111.005 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -84.13 74.06 10.33 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.014 -0.736 . . . . 7.35 109.014 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.92 91.81 1.52 Allowed Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 114.927 -1.033 . . . . 4.13 110.741 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -63.88 110.24 2.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.121 0.486 . . . . 5.79 110.424 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.51 104.59 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.575 -0.528 . . . . 5.81 109.575 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.8 p -108.98 -46.87 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.438 . . . . 4.8 109.882 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.78 45.73 1.69 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.062 -0.815 . . . . 5.95 111.062 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 p -127.05 166.36 17.75 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.792 0.329 . . . . 5.75 110.854 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -120.05 -9.43 9.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.152 0.501 . . . . 8.66 110.007 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -103.54 118.72 37.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.977 -0.556 . . . . 10.49 110.592 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.27 36.07 31.97 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.452 -0.88 . . . . 12.81 111.66 -175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -89.04 147.76 24.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.346 -0.427 . . . . 15.72 110.996 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.762 -0.829 . . . . 17.62 108.762 171.781 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.17 42.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.334 -0.394 . . . . 10.73 111.023 -178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.5 ' HA ' ' CG ' ' A' ' 8' ' ' DBU . 6.5 tt -101.46 101.36 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 121.485 0.659 . . . . 9.02 110.696 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.8 m -116.26 8.62 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 6.13 110.849 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp 174.58 81.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.724 -1.125 . . . . 7.12 109.936 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.49 107.19 21.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.002 -0.544 . . . . 5.93 110.463 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -81.68 81.73 7.64 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.437 0.637 . . . . 7.12 110.723 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.26 76.16 9.91 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.353 -0.84 . . . . 4.37 109.941 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.49 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' DAL . 11.5 tppt? 169.43 -74.58 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 124.139 0.899 . . . . 7.2 108.651 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -147.81 -73.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.143 -0.935 . . . . 8.73 109.122 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 15' ' ' LEU . 6.1 mp -90.26 -19.72 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 6.37 110.316 176.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 91.7 m 59.95 -160.63 0.29 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.504 -0.771 . . . . 3.24 111.567 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 54.8 mtp180 75.29 13.7 3.1 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.401 0.681 . . . . 7.35 110.032 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.95 154.47 7.72 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.318 -0.855 . . . . 4.13 111.504 -178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -125.15 145.16 50.08 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.613 -0.514 . . . . 5.79 109.613 175.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . 0.426 ' HG2' ' N ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.13 106.39 5.77 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.955 -0.387 . . . . 5.81 109.955 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.417 ' HB2' ' HG1' ' A' ' 20' ' ' DBB . 0.5 OUTLIER -102.71 -32.86 9.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.999 -0.546 . . . . 4.8 109.935 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' DBB . . . -118.17 33.28 4.93 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.263 -0.735 . . . . 5.95 111.263 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.0 p -95.76 148.72 22.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.17 -0.515 . . . . 5.75 110.33 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.24 87.64 7.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.497 -0.319 . . . . 8.66 110.27 -177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -69.32 143.04 53.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.146 -0.687 . . . . 10.49 109.146 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.89 -125.37 2.69 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 114.567 -1.197 . . . . 12.81 110.518 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -160.24 -45.35 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.853 0.359 . . . . 15.72 110.615 176.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' OXT' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.821 -0.609 . . . . 17.62 109.589 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.81 118.34 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.549 -0.751 . . . . 10.73 110.045 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 6' ' ' LYS . 9.6 tp -146.28 151.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.733 -0.84 . . . . 9.02 108.733 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 m -71.09 21.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.957 0.725 . . . . 6.13 112.957 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 4' ' ' ILE . 2.2 mptp? 53.55 -149.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.017 0.527 . . . . 7.12 111.266 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . 0.771 ' HB ' ' HE2' ' A' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt 58.07 94.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.681 -1.145 . . . . 5.93 111.611 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -113.48 13.85 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.893 0.854 . . . . 7.12 109.732 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.6 89.65 6.23 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.432 -1.258 . . . . 4.37 110.989 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -116.5 -28.68 6.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.462 -0.336 . . . . 7.2 111.397 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.771 ' HE2' ' HB ' ' A' ' 7' ' ' DBU . 29.7 mtpp -132.92 133.97 43.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 8.73 110.597 -175.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp 61.32 19.21 9.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.187 -0.915 . . . . 6.37 112.706 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.5 m -84.17 141.05 31.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.343 -0.223 . . . . 3.24 110.444 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 67.39 16.69 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.028 0.83 . . . . 7.35 111.246 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.3 -17.51 58.83 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.525 -1.03 . . . . 4.13 110.525 171.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -129.33 127.8 41.84 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.113 -0.699 . . . . 5.79 109.113 175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.2 tp -129.31 110.69 12.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.903 -0.777 . . . . 5.81 108.903 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -109.14 -44.24 3.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.123 -0.944 . . . . 4.8 110.128 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.83 23.33 36.49 Favored Glycine 0 N--CA 1.454 -0.166 0 CA-C-N 115.741 -0.663 . . . . 5.95 111.472 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.4 p -95.42 134.78 37.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.053 0.454 . . . . 5.75 111.037 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -124.95 12.0 8.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.848 -0.614 . . . . 8.66 111.179 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.1 110.8 20.93 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.831 -0.622 . . . . 10.49 109.757 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.18 160.98 27.36 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.68 -0.771 . . . . 12.81 111.972 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -107.52 -38.08 6.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.639 0.257 . . . . 15.72 110.867 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp . . . . . 0 C--O 1.242 0.68 0 CA-C-O 118.453 -0.785 . . . . 17.62 110.913 -177.315 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.33 111.42 4.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.521 0.513 . . . . 10.73 110.042 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 tt -74.9 123.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.338 0.589 . . . . 9.02 109.412 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.21 152.67 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 6.13 111.867 -173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -107.97 144.84 34.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.756 -0.657 . . . . 7.12 110.441 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.6 mp -84.36 115.72 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.543 -0.753 . . . . 5.93 109.719 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -91.95 126.61 37.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.956 -0.566 . . . . 7.12 110.523 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.8 88.27 0.25 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 4.37 110.324 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -59.69 -29.93 68.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 121.029 0.443 . . . . 7.2 110.47 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -125.48 -148.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.533 -0.758 . . . . 8.73 109.651 178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.45 34.32 0.09 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.34 0.496 . . . . 6.37 112.34 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 138.95 30.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.714 -0.221 . . . . 3.24 110.757 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.9 79.51 4.66 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.325 -0.398 . . . . 7.35 110.38 -175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 60.36 7.22 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.753 -0.737 . . . . 4.13 111.394 -177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 20' ' ' DBB . 20.7 t80 -126.85 154.81 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.451 -0.574 . . . . 5.79 109.451 -176.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . 0.455 ' HG3' ' CD2' ' A' ' 19' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.94 86.99 1.8 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.299 -0.864 . . . . 5.81 110.761 -175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.3 p -74.55 -55.99 5.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.106 -0.497 . . . . 4.8 109.891 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.32 61.65 0.89 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.646 -0.788 . . . . 5.95 112.159 176.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -153.59 152.32 30.75 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.525 -0.397 . . . . 5.75 110.824 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -172.49 44.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.381 -0.97 . . . . 8.66 108.381 173.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -151.85 135.49 16.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.451 -0.795 . . . . 10.49 109.185 -176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.28 8.8 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.357 -0.838 . . . . 12.81 111.091 -176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -118.21 136.12 53.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.321 0.581 . . . . 15.72 110.11 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.73 -0.668 . . . . 17.62 109.627 -179.398 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 149.42 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.639 -0.71 . . . . 10.73 110.117 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.558 HG13 ' HE3' ' A' ' 10' ' ' LYS . 39.2 pt -85.6 156.24 3.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 116.099 -0.501 . . . . 9.02 110.016 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.7 t 67.69 111.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.307 0.575 . . . . 6.13 110.583 -174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -57.37 131.3 49.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.571 -0.74 . . . . 7.12 110.317 -178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.5 pt -62.87 119.79 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-O 121.637 0.732 . . . . 5.93 111.98 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' HE3' HG13 ' A' ' 4' ' ' ILE . 17.6 pttm -153.0 134.39 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.406 -0.816 . . . . 7.12 109.745 178.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.61 149.17 40.35 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 4.37 111.558 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -82.35 -67.54 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.254 -0.276 . . . . 7.2 110.254 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -131.44 -50.19 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.688 0.28 . . . . 8.73 110.966 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -126.0 -38.63 2.16 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.251 -0.431 . . . . 6.37 111.179 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.99 39.59 29.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.291 0.567 . . . . 3.24 111.59 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 30.5 ptt180 -70.16 102.61 2.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.635 0.731 . . . . 7.35 110.628 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 128.32 -22.78 5.26 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.129 -0.941 . . . . 4.13 111.391 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -93.45 111.86 23.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.742 -0.466 . . . . 5.79 109.742 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . 0.469 ' HG1' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.0 tp -111.77 83.29 1.76 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.0 0.428 . . . . 5.81 109.89 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' HB2' ' HG1' ' A' ' 20' ' ' DBB . 4.0 m -76.34 -65.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.656 -0.702 . . . . 4.8 110.624 -177.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.7 51.06 0.72 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.572 -0.611 . . . . 5.95 111.572 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.2 p -106.92 144.24 33.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.898 0.38 . . . . 5.75 110.911 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -128.63 101.84 6.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.776 -0.453 . . . . 8.66 109.776 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -86.5 124.66 33.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.174 -0.466 . . . . 10.49 110.74 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.96 107.67 3.24 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 121.047 -0.597 . . . . 12.81 111.717 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -80.26 104.28 10.7 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.586 -0.361 . . . . 15.72 110.527 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.4 tttm . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.11 -0.948 . . . . 17.62 109.621 177.76 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.4 6.94 6.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.729 -0.669 . . . . 10.73 111.118 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.4 mm 58.78 39.11 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.876 0.846 . . . . 9.02 109.69 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.81 71.38 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 122.667 1.222 . . . . 6.13 110.457 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -103.68 14.17 31.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.822 -1.081 . . . . 7.12 110.475 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 tp -78.71 72.24 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.337 1.065 . . . . 5.93 110.227 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.8 91.58 3.71 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.91 -1.041 . . . . 7.12 109.207 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.42 -177.07 6.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.654 . . . . 4.37 110.127 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 54.16 -90.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.022 -0.99 . . . . 7.2 112.334 177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -135.31 11.85 3.53 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.967 0.413 . . . . 8.73 110.045 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -96.15 -20.65 18.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.107 -0.497 . . . . 6.37 110.894 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.0 p -130.16 167.88 17.69 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.609 -0.723 . . . . 3.24 110.489 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -112.8 109.15 18.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.599 -0.519 . . . . 7.35 109.599 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 144.03 -61.2 0.51 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.82 -0.705 . . . . 4.13 112.055 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -103.16 113.63 27.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.419 0.628 . . . . 5.79 110.687 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.62 108.79 20.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.555 -0.748 . . . . 5.81 110.111 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 24' ' ' GLY . 11.0 p -93.83 -73.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.993 0.425 . . . . 4.8 110.47 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . . . -95.66 29.39 9.84 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.883 -0.599 . . . . 5.95 111.768 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.38 2.78 10.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.836 0.827 . . . . 5.75 111.34 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -101.06 -2.95 30.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.643 -1.162 . . . . 8.66 109.541 174.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -108.14 90.35 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.436 -0.95 . . . . 10.49 108.436 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.75 30.89 78.24 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.825 -0.91 . . . . 12.81 110.825 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -96.95 162.16 13.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.08 -0.56 . . . . 15.72 111.179 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.34 -0.838 . . . . 17.62 108.983 174.688 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.42 -164.23 1.9 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.308 -0.86 . . . . 10.73 110.233 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mt -79.98 83.32 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 121.59 0.71 . . . . 9.02 109.789 176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -130.21 146.13 34.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.153 -0.93 . . . . 6.13 109.236 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 38.7 ttmt -77.86 115.67 17.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.935 -0.394 . . . . 7.12 109.935 -178.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 pt -97.59 106.42 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.69 -0.686 . . . . 5.93 110.265 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -116.88 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.98 -0.554 . . . . 7.12 110.942 -176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.48 122.48 45.0 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.221 -0.445 . . . . 4.37 110.488 176.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm 68.46 -67.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.862 0.865 . . . . 7.2 112.131 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -95.2 105.6 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.051 0.389 . . . . 8.73 112.051 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.6 mt 67.03 -2.15 1.24 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.693 0.997 . . . . 6.37 113.693 170.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 12' ' ' DAL . 85.9 m -70.61 113.55 7.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 3.24 110.25 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -111.05 17.05 20.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.012 0.434 . . . . 7.35 110.46 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.04 -34.1 89.04 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.566 -0.743 . . . . 4.13 112.018 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -95.82 26.0 4.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.941 0.876 . . . . 5.79 110.408 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.2 99.89 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 5.81 110.201 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.6 p -84.12 -34.95 24.0 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.466 0.479 . . . . 4.8 110.667 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.45 -5.6 51.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.193 -1.004 . . . . 5.95 112.972 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.9 p -79.92 94.02 5.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.217 0.532 . . . . 5.75 111.365 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -111.01 17.76 20.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.023 -0.535 . . . . 8.66 110.441 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 69.89 122.25 0.03 OUTLIER 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.294 -0.866 . . . . 10.49 111.709 -177.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.47 43.4 94.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.845 -0.693 . . . . 12.81 111.802 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -144.23 123.9 13.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.101 0.477 . . . . 15.72 111.294 -174.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.228 -0.891 . . . . 17.62 109.127 171.638 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.61 -11.93 33.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.936 -0.575 . . . . 10.73 110.768 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.2 mt 65.64 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.316 -0.856 . . . . 9.02 110.827 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' HB ' ' HG3' ' A' ' 8' ' ' DBU . 48.2 t -92.09 137.28 22.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.6 -0.727 . . . . 6.13 109.996 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -76.19 125.39 29.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.633 -0.506 . . . . 7.12 109.633 177.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . 0.589 ' HG3' ' HB ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG13 ' H ' ' A' ' 11' ' ' ALA . 7.4 tp -75.24 144.53 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.747 -0.661 . . . . 5.93 109.853 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 2.9 mptp? -96.78 29.24 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.457 0.646 . . . . 7.12 110.172 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -153.75 136.3 15.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.225 -0.898 . . . . 4.37 109.942 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -88.69 -79.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 7.2 111.29 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -116.07 -64.33 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.048 0.451 . . . . 8.73 111.394 -175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -96.91 -56.34 2.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 6.37 110.873 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.2 m 55.73 12.84 0.9 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.196 -0.911 . . . . 3.24 112.615 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -118.36 8.82 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.784 0.802 . . . . 7.35 109.552 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.24 15.2 25.44 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 114.335 -1.302 . . . . 4.13 111.237 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -73.32 126.06 29.25 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 109.667 -0.494 . . . . 5.79 109.667 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.1 tp -107.02 107.6 18.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 5.81 109.752 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.4 p -100.7 -45.2 5.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.423 -0.808 . . . . 4.8 110.445 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.59 9.63 55.72 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 111.245 -0.742 . . . . 5.95 111.245 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.7 p -79.9 106.97 12.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.325 0.583 . . . . 5.75 110.565 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -78.19 -52.17 9.1 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.552 -0.749 . . . . 8.66 109.55 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -121.07 4.52 10.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.415 0.626 . . . . 10.49 109.984 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.37 98.51 1.46 Allowed Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 121.027 -0.606 . . . . 12.81 111.621 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -81.75 93.84 6.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.257 0.551 . . . . 15.72 110.235 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.38 -0.819 . . . . 17.62 109.658 -178.744 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' 2OP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.81 89.08 0.09 Allowed 'General case' 0 C--O 1.237 0.429 0 O-C-N 123.9 0.75 . . . . 10.73 112.044 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt -100.24 115.5 41.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.396 0.617 . . . . 9.02 111.404 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.3 t -105.8 90.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.772 -0.649 . . . . 6.13 109.977 177.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 54.3 73.29 0.4 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.621 -0.718 . . . . 7.12 110.939 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.1 mt 47.6 61.09 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.928 0.87 . . . . 5.93 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 31.9 mmtp -95.87 87.14 4.54 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.446 -0.797 . . . . 7.12 109.294 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.85 155.19 41.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.383 -0.826 . . . . 4.37 110.561 -176.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -62.39 -76.7 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.609 -0.723 . . . . 7.2 110.607 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.87 -54.55 2.13 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.725 -0.671 . . . . 8.73 109.8 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -105.75 118.38 36.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.885 -0.598 . . . . 6.37 110.162 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.0 m -110.3 15.51 22.25 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.697 0.761 . . . . 3.24 110.168 -177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -119.84 126.02 49.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.225 -0.898 . . . . 7.35 110.369 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.51 22.08 9.34 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.704 -0.76 . . . . 4.13 112.087 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -82.19 166.53 19.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 5.79 110.564 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 tp -92.65 77.95 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.447 -0.946 . . . . 5.81 108.447 172.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.9 m -64.88 -53.71 42.36 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.273 0.558 . . . . 4.8 109.626 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.47 18.42 56.42 Favored Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.391 -0.822 . . . . 5.95 111.606 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 m -75.36 83.27 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.593 0.711 . . . . 5.75 110.832 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -140.97 15.11 2.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.817 -1.083 . . . . 8.66 109.245 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -132.1 130.82 41.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.714 -0.675 . . . . 10.49 110.164 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.07 154.03 14.2 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.35 -0.7 . . . . 12.81 111.35 177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -150.33 124.73 9.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.882 0.372 . . . . 15.72 110.495 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.871 -0.585 . . . . 17.62 109.855 178.678 . . . . . . . . 0 0 . 1 stop_ save_