data_5ion_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 5ion _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.896 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.994 0.426 . . . . 2.21 111.057 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 1.0600000000000001 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.0499999999999998 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.8600000000000001 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.89000000000000001 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.6899999999999999 111.018 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.68999999999999995 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 2.54 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.0299999999999998 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 1.1699999999999999 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 2.1000000000000001 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.5800000000000001 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.896 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 1.55 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 1.04 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.9399999999999999 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.73 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.25 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 1.1399999999999999 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 4.1799999999999997 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.73 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 1.1100000000000001 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.428 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 88.0 m-70 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65000000000000002 111.028 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.842 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.19 0.519 . . . . 2.21 111.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 1.0600000000000001 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.0499999999999998 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.8600000000000001 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.89000000000000001 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.6899999999999999 110.555 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.68999999999999995 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 2.54 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.0299999999999998 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 1.1699999999999999 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 2.1000000000000001 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.5800000000000001 111.106 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 1.55 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 1.04 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.9399999999999999 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.672 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.25 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 1.1399999999999999 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 4.1799999999999997 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.672 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 1.1100000000000001 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 75.5 m-70 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65000000000000002 111.334 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.558 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 120.991 0.424 . . . . 2.21 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 1.0600000000000001 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.493 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.0499999999999998 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.8600000000000001 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.89000000000000001 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.6899999999999999 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.68999999999999995 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 2.54 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.0299999999999998 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 1.1699999999999999 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 2.1000000000000001 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.5800000000000001 111.042 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 1.55 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 1.04 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.5 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.9399999999999999 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.656 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.25 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 1.1399999999999999 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 4.1799999999999997 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 1.1100000000000001 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 59.8 m-70 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65000000000000002 112.671 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.1 0.476 . . . . 2.21 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 1.0600000000000001 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.0499999999999998 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.8600000000000001 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.89000000000000001 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.6899999999999999 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.68999999999999995 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 2.54 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.0299999999999998 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 1.1699999999999999 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 2.1000000000000001 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.5800000000000001 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 1.55 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 1.04 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.9399999999999999 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.711 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 1.1399999999999999 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 4.1799999999999997 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.711 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 1.1100000000000001 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 83.1 m-70 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65000000000000002 112.195 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.557 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.686 0.279 . . . . 2.21 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 1.0600000000000001 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 8' ' ' SER . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.0499999999999998 111.092 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.8600000000000001 111.558 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.89000000000000001 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.6899999999999999 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.68999999999999995 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 2.54 109.348 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.0299999999999998 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 1.1699999999999999 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 2.1000000000000001 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.5800000000000001 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 1.55 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 1.04 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.9399999999999999 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.25 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 1.1399999999999999 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 4.1799999999999997 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 1.1100000000000001 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 76.2 m-70 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65000000000000002 112.148 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.034 0.445 . . . . 2.21 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 1.0600000000000001 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.602 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.0499999999999998 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.8600000000000001 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.89000000000000001 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.6899999999999999 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.68999999999999995 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 2.54 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.0299999999999998 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 1.1699999999999999 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 2.1000000000000001 109.711 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.5800000000000001 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 1.55 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 1.04 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.9399999999999999 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.665 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.25 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 1.1399999999999999 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 4.1799999999999997 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 1.1100000000000001 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.441 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 83.1 m-70 . . . . . 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65000000000000002 111.854 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.435 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.724 1.009 . . . . 2.21 113.724 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 1.0600000000000001 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.511 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.0499999999999998 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.8600000000000001 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.89000000000000001 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.6899999999999999 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.68999999999999995 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 2.54 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.0299999999999998 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 1.1699999999999999 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 2.1000000000000001 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.5800000000000001 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 1.04 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG21 ' A' ' 25' ' ' ILE . 2.6 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.9399999999999999 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.645 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.25 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 1.1399999999999999 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 4.1799999999999997 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.645 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 1.1100000000000001 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 72.4 m-70 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65000000000000002 112.174 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.506 0.194 . . . . 2.21 110.608 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 1.0600000000000001 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.0499999999999998 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.8600000000000001 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.89000000000000001 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.6899999999999999 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.68999999999999995 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 2.54 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.0299999999999998 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 1.1699999999999999 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 2.1000000000000001 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.5800000000000001 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.548 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 1.55 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 1.04 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.9399999999999999 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.25 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 1.1399999999999999 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 4.1799999999999997 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.612 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 1.1100000000000001 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 84.1 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65000000000000002 110.222 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.778 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.695 0.283 . . . . 2.21 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 1.0600000000000001 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.0499999999999998 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.8600000000000001 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.89000000000000001 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.642 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.6899999999999999 111.197 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.68999999999999995 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 2.54 109.977 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.0299999999999998 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 1.1699999999999999 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 2.1000000000000001 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.5800000000000001 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.778 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 1.55 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 1.04 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.9399999999999999 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.688 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.25 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 1.1399999999999999 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 4.1799999999999997 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 1.1100000000000001 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.1 m-70 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65000000000000002 111.316 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.561 ' HB3' HD23 ' A' ' 19' ' ' LEU . 51.5 m-85 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.908 0.385 . . . . 2.21 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 1.0600000000000001 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.0499999999999998 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.8600000000000001 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.89000000000000001 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.6899999999999999 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.68999999999999995 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 2.54 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.0299999999999998 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 1.1699999999999999 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 2.1000000000000001 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.42 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.5800000000000001 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 1.55 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.04 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.533 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.9399999999999999 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.734 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.25 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 1.1399999999999999 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 4.1799999999999997 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 1.1100000000000001 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 90.0 m-70 . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65000000000000002 110.937 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.885 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.029 0.442 . . . . 2.21 110.261 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 1.0600000000000001 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.0499999999999998 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.8600000000000001 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.89000000000000001 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.6899999999999999 110.905 -174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.68999999999999995 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 2.54 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.0299999999999998 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 1.1699999999999999 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 2.1000000000000001 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.5800000000000001 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.885 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 1.55 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 1.04 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.9399999999999999 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.692 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.25 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 1.1399999999999999 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 4.1799999999999997 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 1.1100000000000001 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.426 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 86.2 m-70 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65000000000000002 111.296 177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.571 0.224 . . . . 2.21 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 1.0600000000000001 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.0499999999999998 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.8600000000000001 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.89000000000000001 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.6899999999999999 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.68999999999999995 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.695 HD22 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 2.54 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.0299999999999998 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 1.1699999999999999 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 2.1000000000000001 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.5800000000000001 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 1.55 109.426 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 1.04 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.9399999999999999 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.736 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.25 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 1.1399999999999999 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 4.1799999999999997 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.736 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 1.1100000000000001 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.0 m-70 . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65000000000000002 111.073 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.655 0.264 . . . . 2.21 110.395 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 1.0600000000000001 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.61 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.0499999999999998 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.8600000000000001 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.89000000000000001 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.6899999999999999 111.67 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.68999999999999995 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 2.54 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.0299999999999998 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 1.1699999999999999 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 2.1000000000000001 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.5800000000000001 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 1.55 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 1.04 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG21 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.9399999999999999 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.677 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.25 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 1.1399999999999999 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 4.1799999999999997 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 1.1100000000000001 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 93.9 m-70 . . . . . 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65000000000000002 110.558 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.742 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 2.21 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 1.0600000000000001 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.0499999999999998 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.8600000000000001 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.52 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.89000000000000001 110.788 179.454 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.52 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.6899999999999999 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.68999999999999995 110.704 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 2.54 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.0299999999999998 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 1.1699999999999999 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 2.1000000000000001 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.5800000000000001 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.742 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 1.55 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 1.04 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.9399999999999999 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.772 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.25 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 1.1399999999999999 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 4.1799999999999997 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.772 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 1.1100000000000001 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65000000000000002 111.28 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.972 0.415 . . . . 2.21 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 1.0600000000000001 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.0499999999999998 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.8600000000000001 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.89000000000000001 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.6899999999999999 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.68999999999999995 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 2.54 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.0299999999999998 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 1.1699999999999999 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 2.1000000000000001 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.5800000000000001 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 1.55 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 1.04 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.9399999999999999 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.716 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.25 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 1.1399999999999999 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 4.1799999999999997 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.716 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 1.1100000000000001 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65000000000000002 111.789 178.451 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 98.7 m-85 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.908 0.385 . . . . 2.21 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 1.0600000000000001 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.0499999999999998 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.8600000000000001 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.89000000000000001 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.773 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.6899999999999999 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.68999999999999995 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 2.54 109.252 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.0299999999999998 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 1.1699999999999999 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 2.1000000000000001 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.5800000000000001 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.548 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 1.55 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 1.04 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.9399999999999999 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.734 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.25 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 1.1399999999999999 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 4.1799999999999997 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 1.1100000000000001 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.454 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 88.6 m-70 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65000000000000002 111.072 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.4 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.556 -0.535 . . . . 2.21 109.556 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 1.0600000000000001 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.0499999999999998 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.8600000000000001 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.89000000000000001 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.6899999999999999 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.68999999999999995 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 2.54 109.18 172.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.0299999999999998 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 1.1699999999999999 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 2.1000000000000001 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.5800000000000001 111.208 -177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 1.55 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 1.04 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 2.1 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.9399999999999999 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.25 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 1.1399999999999999 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 4.1799999999999997 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 1.1100000000000001 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.425 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 89.1 m-70 . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65000000000000002 110.669 175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.549 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.11 0.481 . . . . 2.21 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 1.0600000000000001 111.676 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 8' ' ' SER . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.0499999999999998 111.984 -173.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.8600000000000001 112.584 173.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.89000000000000001 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 5' ' ' ALA . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.6899999999999999 111.179 -177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.68999999999999995 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 2.54 110.281 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.0299999999999998 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 1.1699999999999999 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 2.1000000000000001 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.5800000000000001 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 1.55 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 1.04 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.9399999999999999 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.655 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.25 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 1.1399999999999999 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 4.1799999999999997 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.655 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 1.1100000000000001 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.436 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 60.9 m-70 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65000000000000002 113.5 -175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.845 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 109.963 -0.384 . . . . 2.21 109.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 1.0600000000000001 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.71 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.0499999999999998 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.8600000000000001 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.89000000000000001 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.6899999999999999 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.68999999999999995 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 2.54 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.0299999999999998 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 1.1699999999999999 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 2.1000000000000001 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.5800000000000001 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.845 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 1.55 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 1.04 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.3 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.9399999999999999 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.771 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.6 t60 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.25 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 1.1399999999999999 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 4.1799999999999997 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.771 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 1.1100000000000001 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65000000000000002 111.362 178.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.61 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.737 0.303 . . . . 2.21 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 1.0600000000000001 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.0499999999999998 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.8600000000000001 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.89000000000000001 110.655 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.6899999999999999 111.707 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.68999999999999995 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 2.54 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.0299999999999998 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 1.1699999999999999 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 2.1000000000000001 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.5800000000000001 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 1.55 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 1.04 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.533 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.9399999999999999 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.772 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.25 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 1.1399999999999999 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.646 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 4.1799999999999997 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.772 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 1.1100000000000001 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65000000000000002 112.129 179.41 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.4 ' O ' ' HG ' ' A' ' 3' ' ' LEU . 79.8 m-70 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.866 -0.42 . . . . 6.2300000000000004 109.866 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.417 HD13 ' HD2' ' A' ' 12' ' ' LYS . 8.4 tt -67.06 80.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.823 0.821 . . . . 3.4100000000000001 111.434 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD13 ' HD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -92.34 -34.52 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.102 -0.499 . . . . 3.4199999999999999 112.14 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.896 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 -127.15 149.11 50.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.994 0.426 . . . . 2.21 111.057 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 1.0600000000000001 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.0499999999999998 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.8600000000000001 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.89000000000000001 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HD2' HD13 ' A' ' 2' ' ' ILE . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.6899999999999999 111.018 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.68999999999999995 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 2.54 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.0299999999999998 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 1.1699999999999999 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 2.1000000000000001 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.5800000000000001 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.896 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 1.55 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 1.04 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.9399999999999999 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.73 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.25 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 1.1399999999999999 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 4.1799999999999997 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.73 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 1.1100000000000001 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 88.0 m-70 -76.51 -38.74 54.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65000000000000002 111.028 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -72.61 -30.49 64.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 2.54 110.205 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.06 178.19 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.538 -0.755 . . . . 2.8100000000000001 111.012 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.792 -0.623 . . . . 6.5700000000000003 110.044 178.376 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.021 -0.362 . . . . 6.2300000000000004 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.568 HG22 ' HB3' ' A' ' 12' ' ' LYS . 50.5 mm -92.41 96.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.889 0.376 . . . . 3.4100000000000001 110.097 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.8 -56.03 3.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.073 -0.512 . . . . 3.4199999999999999 110.91 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.842 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 -99.28 148.29 24.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 2.21 111.95 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 1.0600000000000001 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.0499999999999998 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.8600000000000001 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.89000000000000001 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HB3' HG22 ' A' ' 2' ' ' ILE . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.6899999999999999 110.555 -177.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.68999999999999995 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 2.54 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.0299999999999998 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 1.1699999999999999 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 2.1000000000000001 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.5800000000000001 111.106 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.842 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 1.55 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 1.04 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.9399999999999999 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.672 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.25 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 1.1399999999999999 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 4.1799999999999997 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.672 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 1.1100000000000001 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 75.5 m-70 -69.66 -31.02 68.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65000000000000002 111.334 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -81.55 -45.2 16.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.132 -0.692 . . . . 2.54 109.132 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -172.32 -80.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.139 -0.937 . . . . 2.8100000000000001 109.298 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 9.0 tt0 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.145 -0.934 . . . . 6.5700000000000003 108.634 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.673 0.273 . . . . 6.2300000000000004 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.542 ' O ' HD13 ' A' ' 2' ' ' ILE . 1.5 pp -99.96 125.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.245 0.545 . . . . 3.4100000000000001 109.623 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -88.74 -69.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 3.4199999999999999 110.964 -171.29 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.558 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 -126.2 146.58 49.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.991 0.424 . . . . 2.21 110.963 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 1.0600000000000001 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.493 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.0499999999999998 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.8600000000000001 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.89000000000000001 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.6899999999999999 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.68999999999999995 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 2.54 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.0299999999999998 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 1.1699999999999999 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 2.1000000000000001 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.453 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.5800000000000001 111.042 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 1.55 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 1.04 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.5 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.9399999999999999 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.656 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.25 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 1.1399999999999999 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 4.1799999999999997 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 1.1100000000000001 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.72 3.32 6.61 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65000000000000002 112.671 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -94.45 -5.89 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.983 0.42 . . . . 2.54 110.557 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.53 -56.25 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 2.8100000000000001 110.562 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 6.5700000000000003 111.719 179.114 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.729 -0.471 . . . . 6.2300000000000004 109.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.861 HD13 ' HG2' ' A' ' 12' ' ' LYS . 20.9 pt -108.69 85.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.478 0.656 . . . . 3.4100000000000001 112.315 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 -45.92 8.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.098 -0.501 . . . . 3.4199999999999999 110.492 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 -81.67 69.35 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.453 -0.794 . . . . 2.21 111.369 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 1.0600000000000001 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.0499999999999998 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.8600000000000001 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.89000000000000001 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.861 ' HG2' HD13 ' A' ' 2' ' ' ILE . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.6899999999999999 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.68999999999999995 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 2.54 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.0299999999999998 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 1.1699999999999999 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 2.1000000000000001 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.5800000000000001 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 1.55 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 1.04 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.9399999999999999 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.711 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.25 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 1.1399999999999999 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 4.1799999999999997 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.711 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 1.1100000000000001 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -85.42 -15.18 43.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65000000000000002 112.195 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -87.39 12.99 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.839 -0.344 . . . . 2.54 110.782 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.16 145.29 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.348 -0.842 . . . . 2.8100000000000001 111.106 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 6.5700000000000003 109.68 179.181 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.352 -0.24 . . . . 6.2300000000000004 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.2 pt -65.4 113.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 3.4100000000000001 109.917 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.44 -57.58 2.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.801 -0.636 . . . . 3.4199999999999999 110.673 -172.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.557 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 -121.1 151.52 39.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.251 -0.431 . . . . 2.21 110.258 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 1.0600000000000001 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 8' ' ' SER . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.0499999999999998 111.092 -174.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.8600000000000001 111.558 -179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.89000000000000001 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.6899999999999999 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.68999999999999995 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 2' ' ' ILE . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 2.54 109.348 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.0299999999999998 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 1.1699999999999999 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 2.1000000000000001 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.5800000000000001 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 1.55 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 1.04 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.583 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.9399999999999999 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.25 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 1.1399999999999999 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 4.1799999999999997 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 1.1100000000000001 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -72.16 -26.96 62.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65000000000000002 112.148 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 24' ' ' ARG . 6.5 t -100.02 -4.53 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.475 . . . . 2.54 110.397 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.54 154.24 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.675 . . . . 2.8100000000000001 110.631 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.15 -0.928 . . . . 6.5700000000000003 110.539 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.861 -0.422 . . . . 6.2300000000000004 109.861 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.688 HD11 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -100.14 70.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.681 0.753 . . . . 3.4100000000000001 111.216 -176.549 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.79 -40.57 65.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.503 -0.771 . . . . 3.4199999999999999 111.865 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -68.24 107.51 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 2.21 110.221 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 1.0600000000000001 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.602 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.0499999999999998 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.8600000000000001 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.89000000000000001 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.6899999999999999 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.68999999999999995 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 2.54 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.0299999999999998 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 1.1699999999999999 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 2.1000000000000001 109.711 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.5800000000000001 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 1.55 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 1.04 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.9399999999999999 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.665 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.25 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 1.1399999999999999 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 4.1799999999999997 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 1.1100000000000001 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -70.91 -29.98 66.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65000000000000002 111.854 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.0 p -88.19 -23.08 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.892 -0.323 . . . . 2.54 110.383 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . 61.61 103.99 0.03 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.989 0.806 . . . . 2.8100000000000001 111.348 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 24.7 mt-30 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.32 -0.855 . . . . 6.5700000000000003 110.317 -174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.436 0.636 . . . . 6.2300000000000004 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.15 43.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.386 0.612 . . . . 3.4100000000000001 111.125 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.83 0.25 51.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.599 -0.728 . . . . 3.4199999999999999 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.435 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 -22.65 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.927 1.392 . . . . 2.21 113.724 -168.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 1.0600000000000001 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.511 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.0499999999999998 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.8600000000000001 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.89000000000000001 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.5 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.6899999999999999 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.68999999999999995 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 2.54 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.0299999999999998 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 1.1699999999999999 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 2.1000000000000001 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.5800000000000001 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 1.04 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG21 ' A' ' 25' ' ' ILE . 2.6 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.9399999999999999 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.645 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.25 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 1.1399999999999999 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 4.1799999999999997 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.645 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 1.1100000000000001 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 72.4 m-70 -70.62 5.44 1.86 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65000000000000002 112.174 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -80.99 -8.42 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.473 0.654 . . . . 2.54 109.537 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.31 -31.44 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.721 -0.672 . . . . 2.8100000000000001 111.04 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.321 -0.847 . . . . 6.5700000000000003 110.572 -179.154 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 111.41 0.152 . . . . 6.2300000000000004 111.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -135.55 144.6 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 3.4100000000000001 110.407 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.68 -61.12 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 3.4199999999999999 110.382 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 -112.4 157.57 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.506 -0.315 . . . . 2.21 110.608 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 1.0600000000000001 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.0499999999999998 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.8600000000000001 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.89000000000000001 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.6899999999999999 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.68999999999999995 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 2.54 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.0299999999999998 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 1.1699999999999999 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 2.1000000000000001 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.5800000000000001 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.548 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 1.55 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 1.04 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.9399999999999999 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.612 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.25 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 1.1399999999999999 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 4.1799999999999997 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.612 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 1.1100000000000001 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 84.1 m-70 -80.79 -39.57 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65000000000000002 110.222 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -79.56 -52.44 8.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 2.54 111.09 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.68 158.86 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.267 -0.424 . . . . 2.8100000000000001 110.777 -175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.88 -0.581 . . . . 6.5700000000000003 110.186 -178.588 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.979 0.419 . . . . 6.2300000000000004 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -128.92 169.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 3.4100000000000001 110.043 175.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.95 -57.82 3.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 3.4199999999999999 109.517 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.778 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -137.61 157.93 45.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 2.21 110.274 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 1.0600000000000001 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.0499999999999998 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.8600000000000001 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.89000000000000001 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.642 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.622 ' HB3' HG21 ' A' ' 2' ' ' ILE . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.6899999999999999 111.197 -175.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.68999999999999995 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' ' 2' ' ' ILE . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 2.54 109.977 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.0299999999999998 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 1.1699999999999999 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 2.1000000000000001 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.5800000000000001 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.778 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 1.55 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 1.04 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.9399999999999999 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.688 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.25 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 1.1399999999999999 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 4.1799999999999997 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 1.1100000000000001 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -75.07 -42.65 56.43 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65000000000000002 111.316 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 24' ' ' ARG . 14.2 t -77.25 -19.54 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 2.54 110.939 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 171.7 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 2.8100000000000001 110.569 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.329 -0.843 . . . . 6.5700000000000003 109.807 178.277 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.669 0.271 . . . . 6.2300000000000004 111.349 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.2 mt -134.75 86.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.233 -0.654 . . . . 3.4100000000000001 109.233 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -58.35 2.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 3.4199999999999999 110.244 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.561 ' HB3' HD23 ' A' ' 19' ' ' LEU . 51.5 m-85 -118.58 150.8 39.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 2.21 110.924 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 1.0600000000000001 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.0499999999999998 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.8600000000000001 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.89000000000000001 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.6899999999999999 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.68999999999999995 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 2.54 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.0299999999999998 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 1.1699999999999999 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 2.1000000000000001 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.5800000000000001 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 1.55 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 1.04 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.533 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.9399999999999999 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.734 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.25 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 1.1399999999999999 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 4.1799999999999997 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 1.1100000000000001 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.64 -6.31 56.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65000000000000002 110.937 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.4 m -90.44 15.53 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.481 0.658 . . . . 2.54 109.725 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.25 68.02 0.45 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.923 -1.035 . . . . 2.8100000000000001 111.647 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.775 -0.631 . . . . 6.5700000000000003 109.513 174.276 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.777 0.322 . . . . 6.2300000000000004 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.589 HG12 ' HB3' ' A' ' 12' ' ' LYS . 2.5 mp -86.64 127.54 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 3.4100000000000001 109.686 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -90.6 -48.43 7.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 3.4199999999999999 109.809 -177.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.885 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -138.17 131.59 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 2.21 110.261 -178.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 1.0600000000000001 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.0499999999999998 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.8600000000000001 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.89000000000000001 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.589 ' HB3' HG12 ' A' ' 2' ' ' ILE . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.6899999999999999 110.905 -174.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.68999999999999995 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 2.54 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.0299999999999998 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 1.1699999999999999 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 2.1000000000000001 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.5800000000000001 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.885 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 1.55 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 1.04 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.9399999999999999 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.692 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.25 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 1.1399999999999999 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 4.1799999999999997 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.692 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 1.1100000000000001 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.68 -14.16 60.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65000000000000002 111.296 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -89.41 -29.44 19.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.765 0.317 . . . . 2.54 111.355 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.73 -178.49 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.644 0.259 . . . . 2.8100000000000001 111.458 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.292 -0.867 . . . . 6.5700000000000003 110.832 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.968 -0.382 . . . . 6.2300000000000004 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -117.64 135.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.19 0.519 . . . . 3.4100000000000001 111.236 -174.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -91.88 -50.31 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.542 -0.754 . . . . 3.4199999999999999 110.308 -177.295 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -111.83 178.43 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 2.21 110.56 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 1.0600000000000001 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.0499999999999998 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.8600000000000001 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.89000000000000001 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.6899999999999999 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.68999999999999995 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD22 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 2.54 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.0299999999999998 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 1.1699999999999999 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 2.1000000000000001 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.5800000000000001 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 1.55 109.426 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 1.04 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.9399999999999999 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.736 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.25 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 1.1399999999999999 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 4.1799999999999997 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.736 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 1.1100000000000001 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.05 -24.1 65.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65000000000000002 111.073 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.0 m -82.31 -40.0 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.506 . . . . 2.54 110.654 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.76 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.724 -0.671 . . . . 2.8100000000000001 111.412 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.376 -0.821 . . . . 6.5700000000000003 109.987 -175.443 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.913 0.387 . . . . 6.2300000000000004 110.767 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.747 HG23 ' HG3' ' A' ' 12' ' ' LYS . 48.8 pt -93.48 46.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 3.4100000000000001 110.856 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -78.73 -56.04 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 3.4199999999999999 109.655 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 -108.22 148.06 30.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 2.21 110.395 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 1.0600000000000001 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.607 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.0499999999999998 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.8600000000000001 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.89000000000000001 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' HG23 ' A' ' 2' ' ' ILE . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.6899999999999999 111.67 -176.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.68999999999999995 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 2.54 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.0299999999999998 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 1.1699999999999999 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 2.1000000000000001 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.5800000000000001 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 1.55 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 1.04 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' O ' HG21 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.9399999999999999 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.677 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.25 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 1.1399999999999999 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 4.1799999999999997 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 1.1100000000000001 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 93.9 m-70 -76.0 -41.91 49.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65000000000000002 110.558 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 m -73.15 -49.31 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 2.54 111.086 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.34 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.044 0.84 . . . . 2.8100000000000001 111.948 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.792 -0.623 . . . . 6.5700000000000003 109.864 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.823 0.344 . . . . 6.2300000000000004 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 pt -128.43 71.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.298 0.57 . . . . 3.4100000000000001 109.507 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -66.91 -62.85 1.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.712 -0.676 . . . . 3.4199999999999999 110.96 -173.419 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.742 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 -116.35 110.6 18.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.0 0.429 . . . . 2.21 110.884 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 1.0600000000000001 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.0499999999999998 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.8600000000000001 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.89000000000000001 110.788 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.6899999999999999 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.68999999999999995 110.704 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 2.54 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.0299999999999998 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 1.1699999999999999 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 2.1000000000000001 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.5800000000000001 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.742 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 1.55 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 1.04 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.9399999999999999 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.772 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.25 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 1.1399999999999999 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 4.1799999999999997 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.772 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 1.1100000000000001 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.6 -24.64 22.79 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65000000000000002 111.28 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -94.56 2.23 55.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.281 . . . . 2.54 111.127 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 71.23 145.79 0.07 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.266 -0.879 . . . . 2.8100000000000001 111.494 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.437 -0.792 . . . . 6.5700000000000003 110.457 -179.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.497 -0.186 . . . . 6.2300000000000004 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.15 111.93 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 3.4100000000000001 110.272 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.8 tp -89.94 -67.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.98 -0.555 . . . . 3.4199999999999999 111.865 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 -94.41 147.41 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.327 -0.549 . . . . 2.21 111.356 -173.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 1.0600000000000001 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.0499999999999998 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.8600000000000001 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.89000000000000001 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.6899999999999999 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.68999999999999995 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 2.54 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.0299999999999998 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 1.1699999999999999 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 2.1000000000000001 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.5800000000000001 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 1.55 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 1.04 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.9399999999999999 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.716 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.25 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 1.1399999999999999 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 4.1799999999999997 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.716 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 1.1100000000000001 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -81.5 1.75 32.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65000000000000002 111.789 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -70.69 -40.15 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.648 -0.871 . . . . 2.54 108.648 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.48 71.48 10.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.402 -0.817 . . . . 2.8100000000000001 109.795 174.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.469 -0.787 . . . . 6.5700000000000003 109.949 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.332 -0.248 . . . . 6.2300000000000004 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 pt 43.61 38.54 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.125 0.97 . . . . 3.4100000000000001 112.863 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.04 -40.93 11.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.155 -0.475 . . . . 3.4199999999999999 109.768 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 98.7 m-85 -94.48 145.13 25.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 2.21 110.901 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 1.0600000000000001 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.773 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.0499999999999998 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.8600000000000001 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.89000000000000001 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.773 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.6899999999999999 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.68999999999999995 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 2.54 109.252 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.0299999999999998 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 1.1699999999999999 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 2.1000000000000001 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.5800000000000001 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.548 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 1.55 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 1.04 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.9399999999999999 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.734 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.25 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 1.1399999999999999 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 4.1799999999999997 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.734 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 1.1100000000000001 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -77.43 -38.28 49.91 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65000000000000002 111.072 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -72.66 -4.75 32.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.934 0.397 . . . . 2.54 111.644 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.06 139.45 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.405 -0.362 . . . . 2.8100000000000001 110.237 176.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.253 1.25 0 O-C-N 123.726 0.641 . . . . 6.5700000000000003 110.834 -177.87 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.986 0.422 . . . . 6.2300000000000004 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.78 91.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 3.4100000000000001 110.144 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.66 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.33 -26.07 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 3.4199999999999999 111.332 178.287 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.4 m-85 -134.63 133.44 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.556 -0.535 . . . . 2.21 109.556 174.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 1.0600000000000001 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.0499999999999998 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.8600000000000001 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.89000000000000001 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.6899999999999999 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.68999999999999995 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' HA ' HD11 ' A' ' 3' ' ' LEU . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 2.54 109.18 172.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.0299999999999998 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 1.1699999999999999 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 2.1000000000000001 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.5800000000000001 111.208 -177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 1.55 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 1.04 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 2.1 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.9399999999999999 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.25 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 1.1399999999999999 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 4.1799999999999997 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 1.1100000000000001 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -88.06 -19.73 26.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65000000000000002 110.669 175.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.6 m -92.51 -57.31 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 2.54 110.749 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.2 150.36 20.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.143 -0.48 . . . . 2.8100000000000001 110.755 -177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.631 -0.699 . . . . 6.5700000000000003 110.403 179.226 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.409 ' H2 ' ' HG ' ' A' ' 14' ' ' LEU . 82.7 m-70 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.686 0.279 . . . . 6.2300000000000004 110.64 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.529 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -126.94 47.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.219 0.533 . . . . 3.4100000000000001 110.913 -175.228 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.619 -0.719 . . . . 3.4199999999999999 111.243 -175.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.549 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 -109.14 119.86 40.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 2.21 110.918 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 1.0600000000000001 111.676 -177.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 8' ' ' SER . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.0499999999999998 111.984 -173.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.8600000000000001 112.584 173.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.89000000000000001 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' HG2' ' HB ' ' A' ' 2' ' ' ILE . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.6899999999999999 111.179 -177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.68999999999999995 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' H2 ' ' A' ' 1' ' ' HIS . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 2.54 110.281 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.0299999999999998 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 1.1699999999999999 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 2.1000000000000001 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.5800000000000001 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 1.55 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 1.04 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.9399999999999999 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.655 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.25 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 1.1399999999999999 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 4.1799999999999997 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.655 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 1.1100000000000001 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -72.27 -3.11 21.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65000000000000002 113.5 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 24' ' ' ARG . 6.4 t -100.66 6.34 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.207 -0.597 . . . . 2.54 110.568 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.55 178.62 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.471 -0.331 . . . . 2.8100000000000001 111.371 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.294 -0.632 . . . . 6.5700000000000003 109.294 172.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.866 0.365 . . . . 6.2300000000000004 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 2' ' ' ILE . 3.3 mp -96.24 113.32 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.254 -0.647 . . . . 3.4100000000000001 109.254 175.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.59 -60.19 2.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.423 -0.584 . . . . 3.4199999999999999 109.423 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.845 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -148.8 124.92 10.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 2.21 109.963 175.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 1.0600000000000001 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.71 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.0499999999999998 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.8600000000000001 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.89000000000000001 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.6899999999999999 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.68999999999999995 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 2.54 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.0299999999999998 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 1.1699999999999999 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 2.1000000000000001 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.5800000000000001 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.845 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 1.55 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 1.04 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.3 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.9399999999999999 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.771 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.6 t60 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.25 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 1.1399999999999999 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 4.1799999999999997 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.771 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 1.1100000000000001 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -68.19 -45.43 73.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65000000000000002 111.362 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -99.56 -44.12 6.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.443 0.535 . . . . 2.54 112.443 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.43 71.01 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.122 0.487 . . . . 2.8100000000000001 111.666 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.275 -0.869 . . . . 6.5700000000000003 109.45 176.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.441 -0.207 . . . . 6.2300000000000004 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 12' ' ' LYS . 67.7 mt 61.67 82.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.53 0.681 . . . . 3.4100000000000001 110.463 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.01 -53.38 4.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.477 -0.783 . . . . 3.4199999999999999 110.772 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 -105.85 151.55 24.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.402 -0.363 . . . . 2.21 110.927 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 1.0600000000000001 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.0499999999999998 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.8600000000000001 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.89000000000000001 110.655 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.658 ' HB3' HG21 ' A' ' 2' ' ' ILE . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.6899999999999999 111.707 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.68999999999999995 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 2.54 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.0299999999999998 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 1.1699999999999999 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 2.1000000000000001 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.5800000000000001 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 1.55 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.646 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 1.04 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.533 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.9399999999999999 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.772 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.25 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 1.1399999999999999 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.646 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 4.1799999999999997 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.772 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 1.1100000000000001 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -89.94 -27.41 19.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65000000000000002 112.129 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -92.3 14.59 15.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.029 0.442 . . . . 2.54 111.729 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.31 87.25 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.159 -0.473 . . . . 2.8100000000000001 110.379 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.175 -0.917 . . . . 6.5700000000000003 110.806 -178.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.925 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.994 0.426 . . . . 2.08 111.057 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 0.35 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.05 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.41 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.72 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.22 111.018 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.53 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 1.91 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.03 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 0.45 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 1.45 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.05 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.925 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 0.87 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.26 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.31 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.75 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 0.3 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 3.52 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.75 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 0.35 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 88.0 m-70 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65 111.028 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.875 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.19 0.519 . . . . 2.08 111.95 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 0.35 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.05 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.41 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.72 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.22 110.555 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.53 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 1.91 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.03 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 0.45 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 1.45 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.05 111.106 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.875 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 0.26 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.31 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.21 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 0.3 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.52 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 0.35 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 75.5 m-70 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65 111.334 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 120.991 0.424 . . . . 2.08 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.05 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.41 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.72 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.22 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.53 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 1.91 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.03 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 0.45 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 1.45 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.05 111.042 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 0.87 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.26 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 15.8 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.31 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.673 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.21 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 0.3 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 3.52 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 0.35 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 59.8 m-70 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65 112.671 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.553 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.1 0.476 . . . . 2.08 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 0.35 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.05 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.41 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.72 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.22 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.53 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 1.91 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.03 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 0.45 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 1.45 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 0.87 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 0.26 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.31 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.729 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.21 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 0.3 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.667 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 3.52 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.729 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 0.35 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 83.1 m-70 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65 112.195 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.686 0.279 . . . . 2.08 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.35 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.05 111.092 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.41 111.558 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.72 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.693 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.22 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.53 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 1.91 109.348 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.03 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 0.45 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 1.45 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.05 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 0.87 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 0.26 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.31 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.71 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.21 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 0.3 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 3.52 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 0.35 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65 112.148 -179.543 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.034 0.445 . . . . 2.08 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 0.35 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.05 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.41 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.72 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.22 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.53 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 1.91 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.03 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 0.45 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 1.45 109.711 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.05 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 0.87 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 0.26 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.31 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.21 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 0.3 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 3.52 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 0.35 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 . . . . . 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65 111.854 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.476 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.724 1.009 . . . . 2.08 113.724 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 0.35 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.05 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.41 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.72 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.22 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.53 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 1.91 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.03 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 0.45 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 1.45 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.05 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 0.87 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.26 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.0 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.31 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.21 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 0.3 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 3.52 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 72.4 m-70 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65 112.174 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.599 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.506 0.194 . . . . 2.08 110.608 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 0.35 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.05 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.41 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.72 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.22 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.53 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 1.91 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.03 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 0.45 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 1.45 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.599 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 0.87 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.26 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.31 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.21 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.3 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 3.52 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 0.35 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 84.1 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65 110.222 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.819 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.695 0.283 . . . . 2.08 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 0.35 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.05 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.41 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.72 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.22 111.197 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.53 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 1.91 109.977 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.03 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 0.45 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 1.45 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.05 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.819 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 0.87 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.26 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.31 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.702 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.21 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 0.3 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 3.52 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 0.35 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.1 m-70 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65 111.316 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 19' ' ' LEU . 51.5 m-85 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.908 0.385 . . . . 2.08 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.05 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.41 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.72 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.22 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.53 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 1.91 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.03 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 0.45 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 1.45 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.05 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 0.87 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.31 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.752 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.21 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 0.3 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 3.52 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.752 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 0.35 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.408 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 90.0 m-70 . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65 110.937 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.91 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.029 0.442 . . . . 2.08 110.261 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 0.35 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.05 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.41 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.72 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.22 110.905 -174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.53 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 1.91 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.03 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 0.45 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 1.45 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.91 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 0.87 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.26 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.31 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.713 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.21 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 0.3 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 3.52 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 0.35 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65 111.296 177.379 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.571 0.224 . . . . 2.08 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.35 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.05 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.41 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.72 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.22 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.53 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 1.91 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.03 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 0.45 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 1.45 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.05 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 0.87 109.426 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.26 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG2' ' HA ' ' A' ' 18' ' ' SER . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.31 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.755 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.21 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 0.3 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 3.52 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 0.35 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.0 m-70 . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65 111.073 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.642 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.655 0.264 . . . . 2.08 110.395 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 0.35 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.599 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.05 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.41 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.72 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.591 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.22 111.67 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.53 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 1.91 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.03 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 0.45 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 1.45 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.05 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 0.87 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 0.26 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.31 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.694 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.21 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 0.3 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 3.52 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 0.35 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 93.9 m-70 . . . . . 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.558 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.782 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 2.08 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 0.35 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.05 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.41 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.72 110.788 179.454 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.22 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HD2' HD23 ' A' ' 19' ' ' LEU . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.53 110.704 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 1.91 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.03 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 0.45 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 1.45 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.05 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 0.87 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 0.26 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 12.4 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.31 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.795 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.21 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 0.3 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 3.52 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.795 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 0.35 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65 111.28 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.972 0.415 . . . . 2.08 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 0.35 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.05 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.41 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.72 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.22 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.53 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 1.91 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.03 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 0.45 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 1.45 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 0.87 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 0.26 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.31 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.738 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.21 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 0.3 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 3.52 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 0.35 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65 111.789 178.451 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 98.7 m-85 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.908 0.385 . . . . 2.08 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 0.35 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.05 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.41 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.72 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.79 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.22 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' HD23 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.53 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 1.91 109.252 176.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.03 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 0.45 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.05 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 0.87 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.26 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.31 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.21 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 0.3 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 3.52 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 0.35 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 88.6 m-70 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65 111.072 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.4 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.556 -0.535 . . . . 2.08 109.556 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.35 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.05 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.41 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.72 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.22 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.53 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 1.91 109.18 172.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.03 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 0.45 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 1.45 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.05 111.208 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 0.87 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 0.26 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.2 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.31 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.21 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 0.3 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 3.52 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.679 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 0.35 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65 110.669 175.055 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.11 0.481 . . . . 2.08 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 0.35 111.676 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.05 111.984 -173.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.41 112.584 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.72 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.22 111.179 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.53 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.281 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.03 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 0.45 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 1.45 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.05 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 0.87 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.26 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.31 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.674 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.21 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 0.3 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 3.52 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 0.35 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65 113.5 -175.2 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.877 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 109.963 -0.384 . . . . 2.08 109.963 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 0.35 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' SG ' ' ND1' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.05 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.41 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.72 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.22 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.53 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 1.91 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.03 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 0.45 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 1.45 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.877 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 0.87 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 0.26 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 14.4 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.31 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.79 ' O ' HG12 ' A' ' 25' ' ' ILE . 23.1 t-80 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.21 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 0.3 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 3.52 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.79 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 0.35 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65 111.362 178.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.737 0.303 . . . . 2.08 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 0.35 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.05 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.41 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.72 110.655 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.22 111.707 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.53 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 1.91 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.03 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 0.45 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 1.45 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.87 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 0.26 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.31 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.789 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.21 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 0.3 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 3.52 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.789 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 0.35 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65 112.129 179.41 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' A' ' 2' ' ' ILE . 79.8 m-70 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.866 -0.42 . . . . 5.41 109.866 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' H ' ' HB3' ' A' ' 1' ' ' HIS . 8.4 tt -67.06 80.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.823 0.821 . . . . 3.02 111.434 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -92.34 -34.52 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.102 -0.499 . . . . 2.91 112.14 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.925 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 -127.15 149.11 50.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.994 0.426 . . . . 2.08 111.057 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 0.35 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.05 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.41 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.72 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HD2' HD11 ' A' ' 2' ' ' ILE . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.22 111.018 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.53 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 1.91 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.03 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 0.45 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 1.45 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.05 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.925 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 0.87 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.26 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.31 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.75 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 0.3 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 3.52 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.75 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 0.35 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 88.0 m-70 -76.51 -38.74 54.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65 111.028 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -72.61 -30.49 64.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 1.94 110.205 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.06 178.19 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.538 -0.755 . . . . 2.81 111.012 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.792 -0.623 . . . . 6.36 110.044 178.376 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.021 -0.362 . . . . 5.41 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 12' ' ' LYS . 50.5 mm -92.41 96.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.889 0.376 . . . . 3.02 110.097 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.8 -56.03 3.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.073 -0.512 . . . . 2.91 110.91 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.875 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 -99.28 148.29 24.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 2.08 111.95 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 0.35 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.05 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.41 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.72 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' ILE . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.22 110.555 -177.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.53 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 1.91 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.03 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 0.45 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 1.45 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.05 111.106 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.875 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 0.26 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.31 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.21 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 0.3 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.52 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 0.35 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 75.5 m-70 -69.66 -31.02 68.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65 111.334 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -81.55 -45.2 16.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.132 -0.692 . . . . 1.94 109.132 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -172.32 -80.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.139 -0.937 . . . . 2.81 109.298 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 59.3 tt0 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.145 -0.934 . . . . 6.36 108.634 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.673 0.273 . . . . 5.41 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.5 pp -99.96 125.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.245 0.545 . . . . 3.02 109.623 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -88.74 -69.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 2.91 110.964 -171.29 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 -126.2 146.58 49.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.991 0.424 . . . . 2.08 110.963 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.05 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.41 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.72 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.22 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.53 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 1.91 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.03 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 0.45 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 1.45 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.05 111.042 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 0.87 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.26 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 15.8 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.31 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.673 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.21 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 0.3 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 3.52 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 0.35 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.72 3.32 6.61 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65 112.671 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -94.45 -5.89 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.983 0.42 . . . . 1.94 110.557 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.53 -56.25 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.562 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 6.36 111.719 179.114 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.729 -0.471 . . . . 5.41 109.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.879 HD12 ' HG2' ' A' ' 12' ' ' LYS . 20.9 pt -108.69 85.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.478 0.656 . . . . 3.02 112.315 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 -45.92 8.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.492 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.553 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 -81.67 69.35 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.453 -0.794 . . . . 2.08 111.369 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 0.35 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.05 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.41 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.72 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.879 ' HG2' HD12 ' A' ' 2' ' ' ILE . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.22 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.53 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 1.91 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.03 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 0.45 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 1.45 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 0.87 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 0.26 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.31 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.729 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.21 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 0.3 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.667 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 3.52 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.729 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 0.35 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -85.42 -15.18 43.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65 112.195 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -87.39 12.99 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.839 -0.344 . . . . 1.94 110.782 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.16 145.29 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.348 -0.842 . . . . 2.81 111.106 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 6.36 109.68 179.181 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.352 -0.24 . . . . 5.41 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.412 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.2 pt -65.4 113.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 3.02 109.917 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.44 -57.58 2.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.801 -0.636 . . . . 2.91 110.673 -172.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 -121.1 151.52 39.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.251 -0.431 . . . . 2.08 110.258 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.35 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.05 111.092 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.41 111.558 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.72 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.693 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.22 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.53 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 2' ' ' ILE . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 1.91 109.348 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.03 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 0.45 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 1.45 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.05 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 0.87 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 0.26 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.31 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.71 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.21 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 0.3 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 3.52 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 0.35 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -72.16 -26.96 62.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65 112.148 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 24' ' ' ARG . 6.5 t -100.02 -4.53 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.475 . . . . 1.94 110.397 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.54 154.24 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.675 . . . . 2.81 110.631 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.15 -0.928 . . . . 6.36 110.539 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.861 -0.422 . . . . 5.41 109.861 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.736 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -100.14 70.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.681 0.753 . . . . 3.02 111.216 -176.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.79 -40.57 65.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.503 -0.771 . . . . 2.91 111.865 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -68.24 107.51 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 2.08 110.221 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 0.35 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.05 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.41 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.72 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.22 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.53 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 1.91 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.03 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 0.45 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 1.45 109.711 -178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.05 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 0.87 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 0.26 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.31 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.21 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 0.3 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 3.52 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 0.35 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -70.91 -29.98 66.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65 111.854 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.0 p -88.19 -23.08 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.892 -0.323 . . . . 1.94 110.383 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.61 103.99 0.03 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.989 0.806 . . . . 2.81 111.348 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.32 -0.855 . . . . 6.36 110.317 -174.672 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.436 0.636 . . . . 5.41 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 2' ' ' ILE . 2.0 pp -92.15 43.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.386 0.612 . . . . 3.02 111.125 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.83 0.25 51.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.599 -0.728 . . . . 2.91 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.476 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 -22.65 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.927 1.392 . . . . 2.08 113.724 -168.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 0.35 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.05 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.41 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.72 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.22 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.53 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 1.91 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.03 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 0.45 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 1.45 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.05 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 0.87 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.26 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.0 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.31 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.21 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 0.3 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 3.52 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -70.62 5.44 1.86 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65 112.174 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -80.99 -8.42 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.473 0.654 . . . . 1.94 109.537 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.31 -31.44 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.721 -0.672 . . . . 2.81 111.04 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.321 -0.847 . . . . 6.36 110.572 -179.154 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 111.41 0.152 . . . . 5.41 111.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -135.55 144.6 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 3.02 110.407 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.68 -61.12 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 2.91 110.382 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.599 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 -112.4 157.57 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.506 -0.315 . . . . 2.08 110.608 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 0.35 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.05 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.41 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.72 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.22 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.53 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 1.91 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.03 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 0.45 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 1.45 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 0.87 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.26 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.31 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.21 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.3 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 3.52 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 0.35 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 84.1 m-70 -80.79 -39.57 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65 110.222 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -79.56 -52.44 8.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 1.94 111.09 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.68 158.86 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.267 -0.424 . . . . 2.81 110.777 -175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.88 -0.581 . . . . 6.36 110.186 -178.588 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.979 0.419 . . . . 5.41 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -128.92 169.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 3.02 110.043 175.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.95 -57.82 3.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 2.91 109.517 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.819 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -137.61 157.93 45.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 2.08 110.274 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 0.35 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.05 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.41 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.72 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB3' HG21 ' A' ' 2' ' ' ILE . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.22 111.197 -175.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.53 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 2' ' ' ILE . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 1.91 109.977 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.03 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 0.45 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 1.45 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.05 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.819 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 0.87 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.26 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.31 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.702 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.21 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 0.3 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 3.52 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 0.35 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -75.07 -42.65 56.43 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65 111.316 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 24' ' ' ARG . 14.2 t -77.25 -19.54 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 1.94 110.939 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 171.7 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 2.81 110.569 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.329 -0.843 . . . . 6.36 109.807 178.277 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.669 0.271 . . . . 5.41 111.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.2 mt -134.75 86.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.233 -0.654 . . . . 3.02 109.233 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -58.35 2.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 2.91 110.244 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 19' ' ' LEU . 51.5 m-85 -118.58 150.8 39.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 2.08 110.924 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.05 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.41 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.72 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.22 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.53 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 1.91 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.03 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 0.45 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 1.45 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.05 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 0.87 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.31 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.752 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.21 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 0.3 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 3.52 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.752 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 0.35 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.64 -6.31 56.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65 110.937 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.4 m -90.44 15.53 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.481 0.658 . . . . 1.94 109.725 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.25 68.02 0.45 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.923 -1.035 . . . . 2.81 111.647 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.775 -0.631 . . . . 6.36 109.513 174.276 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.777 0.322 . . . . 5.41 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.629 HG12 ' HB3' ' A' ' 12' ' ' LYS . 2.5 mp -86.64 127.54 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 3.02 109.686 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.7 tm? -90.6 -48.43 7.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 2.91 109.809 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.91 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -138.17 131.59 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 2.08 110.261 -178.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 0.35 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.05 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.41 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.72 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB3' HG12 ' A' ' 2' ' ' ILE . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.22 110.905 -174.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.53 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 1.91 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.03 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 0.45 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 1.45 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.91 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 0.87 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.26 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.31 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.713 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.21 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 0.3 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 3.52 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 0.35 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.68 -14.16 60.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65 111.296 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -89.41 -29.44 19.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.765 0.317 . . . . 1.94 111.355 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.73 -178.49 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.644 0.259 . . . . 2.81 111.458 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.292 -0.867 . . . . 6.36 110.832 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.968 -0.382 . . . . 5.41 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -117.64 135.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.19 0.519 . . . . 3.02 111.236 -174.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' HA ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.88 -50.31 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.542 -0.754 . . . . 2.91 110.308 -177.295 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -111.83 178.43 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 2.08 110.56 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.35 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.05 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.41 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.72 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.22 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.53 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 1.91 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.03 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 0.45 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 1.45 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.05 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 0.87 109.426 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.26 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG2' ' HA ' ' A' ' 18' ' ' SER . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.31 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.755 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.21 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 0.3 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 3.52 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 0.35 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.05 -24.1 65.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65 111.073 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.0 m -82.31 -40.0 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.506 . . . . 1.94 110.654 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.76 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.724 -0.671 . . . . 2.81 111.412 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.376 -0.821 . . . . 6.36 109.987 -175.443 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.2 p80 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.913 0.387 . . . . 5.41 110.767 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' ' 12' ' ' LYS . 48.8 pt -93.48 46.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 3.02 110.856 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.2 tm? -78.73 -56.04 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 2.91 109.655 -177.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.642 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 -108.22 148.06 30.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 2.08 110.395 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 0.35 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.597 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.05 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.41 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.72 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.591 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' ' 2' ' ' ILE . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.22 111.67 -176.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.53 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 1.91 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.03 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 0.45 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 1.45 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.05 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 0.87 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 0.26 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.31 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.694 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.21 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 0.3 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 3.52 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 0.35 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 93.9 m-70 -76.0 -41.91 49.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.558 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 m -73.15 -49.31 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.94 111.086 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.34 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.044 0.84 . . . . 2.81 111.948 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.792 -0.623 . . . . 6.36 109.864 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.823 0.344 . . . . 5.41 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 pt -128.43 71.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.298 0.57 . . . . 3.02 109.507 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -66.91 -62.85 1.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.712 -0.676 . . . . 2.91 110.96 -173.419 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.782 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 -116.35 110.6 18.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.0 0.429 . . . . 2.08 110.884 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 0.35 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.05 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.41 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.72 110.788 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.22 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HD2' HD23 ' A' ' 19' ' ' LEU . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.53 110.704 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 1.91 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.03 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 0.45 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 1.45 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.05 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 0.87 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 0.26 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 12.4 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.31 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.795 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.21 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 0.3 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 3.52 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.795 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 0.35 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.6 -24.64 22.79 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65 111.28 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -94.56 2.23 55.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.281 . . . . 1.94 111.127 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 71.23 145.79 0.07 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.266 -0.879 . . . . 2.81 111.494 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.437 -0.792 . . . . 6.36 110.457 -179.667 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.497 -0.186 . . . . 5.41 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.15 111.93 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 3.02 110.272 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.8 tp -89.94 -67.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.98 -0.555 . . . . 2.91 111.865 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 -94.41 147.41 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.327 -0.549 . . . . 2.08 111.356 -173.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 0.35 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.05 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.41 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.72 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.22 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.53 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 1.91 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.03 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 0.45 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 1.45 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 0.87 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 0.26 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.31 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.738 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.21 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 0.3 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 3.52 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 0.35 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -81.5 1.75 32.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65 111.789 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -70.69 -40.15 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.648 -0.871 . . . . 1.94 108.648 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.48 71.48 10.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.402 -0.817 . . . . 2.81 109.795 174.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.469 -0.787 . . . . 6.36 109.949 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.332 -0.248 . . . . 5.41 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.407 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 43.9 pt 43.61 38.54 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.125 0.97 . . . . 3.02 112.863 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.04 -40.93 11.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.155 -0.475 . . . . 2.91 109.768 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 98.7 m-85 -94.48 145.13 25.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.901 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 0.35 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.05 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.41 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.72 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.79 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.22 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' HD23 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.53 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 2' ' ' ILE . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 1.91 109.252 176.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.03 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 0.45 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.05 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 0.87 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.26 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.31 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.751 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.21 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 0.3 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 3.52 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 0.35 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -77.43 -38.28 49.91 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65 111.072 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -72.66 -4.75 32.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.934 0.397 . . . . 1.94 111.644 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.06 139.45 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.405 -0.362 . . . . 2.81 110.237 176.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.253 1.25 0 O-C-N 123.726 0.641 . . . . 6.36 110.834 -177.87 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.986 0.422 . . . . 5.41 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.78 91.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 3.02 110.144 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.33 -26.07 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 2.91 111.332 178.287 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.4 m-85 -134.63 133.44 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.556 -0.535 . . . . 2.08 109.556 174.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.35 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.05 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.41 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.72 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.22 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.53 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.67 ' HA ' HD11 ' A' ' 3' ' ' LEU . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 1.91 109.18 172.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.03 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 0.45 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 1.45 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.05 111.208 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 0.87 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 0.26 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.2 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.31 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.21 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 0.3 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 3.52 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.679 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 0.35 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -88.06 -19.73 26.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65 110.669 175.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.6 m -92.51 -57.31 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 1.94 110.749 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.2 150.36 20.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.143 -0.48 . . . . 2.81 110.755 -177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.631 -0.699 . . . . 6.36 110.403 179.226 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.686 0.279 . . . . 5.41 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.578 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -126.94 47.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.219 0.533 . . . . 3.02 110.913 -175.228 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.619 -0.719 . . . . 2.91 111.243 -175.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 -109.14 119.86 40.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 2.08 110.918 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 0.35 111.676 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.05 111.984 -173.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.41 112.584 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.72 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' ILE . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.22 111.179 -177.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.53 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.281 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.03 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 0.45 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 1.45 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.05 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 0.87 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.26 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.31 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.674 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.21 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 0.3 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 3.52 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 0.35 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -72.27 -3.11 21.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65 113.5 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 24' ' ' ARG . 6.4 t -100.66 6.34 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.207 -0.597 . . . . 1.94 110.568 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.55 178.62 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.471 -0.331 . . . . 2.81 111.371 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.294 -0.632 . . . . 6.36 109.294 172.877 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.866 0.365 . . . . 5.41 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.24 113.32 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.254 -0.647 . . . . 3.02 109.254 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 1.9 tm? -81.59 -60.19 2.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.423 -0.584 . . . . 2.91 109.423 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.877 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -148.8 124.92 10.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 2.08 109.963 175.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 0.35 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.696 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.05 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.41 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.72 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.22 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.53 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 1.91 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.03 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 0.45 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 1.45 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.877 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 0.87 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 0.26 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 14.4 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.31 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.79 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.6 t60 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.21 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 0.3 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 3.52 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.79 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 0.35 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -68.19 -45.43 73.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65 111.362 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -99.56 -44.12 6.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.443 0.535 . . . . 1.94 112.443 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.43 71.01 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.122 0.487 . . . . 2.81 111.666 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.275 -0.869 . . . . 6.36 109.45 176.734 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.441 -0.207 . . . . 5.41 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 12' ' ' LYS . 67.7 mt 61.67 82.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.53 0.681 . . . . 3.02 110.463 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.01 -53.38 4.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.477 -0.783 . . . . 2.91 110.772 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 -105.85 151.55 24.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.402 -0.363 . . . . 2.08 110.927 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 0.35 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.05 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.41 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.72 110.655 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' A' ' 2' ' ' ILE . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.22 111.707 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.53 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 1.91 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.03 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 0.45 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 1.45 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.87 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 0.26 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.31 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.789 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.21 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 0.3 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 3.52 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.789 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 0.35 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -89.94 -27.41 19.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65 112.129 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -92.3 14.59 15.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.029 0.442 . . . . 1.94 111.729 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.31 87.25 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.159 -0.473 . . . . 2.81 110.379 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.175 -0.917 . . . . 6.36 110.806 -178.777 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.925 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.994 0.426 . . . . 2.08 111.057 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 0.35 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.05 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.41 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.72 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.22 111.018 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.53 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 1.91 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.03 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 0.45 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 1.45 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.05 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.925 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 0.87 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.26 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.31 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.75 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 0.3 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 3.52 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.75 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 0.35 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 88.0 m-70 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65 111.028 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.875 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 121.19 0.519 . . . . 2.08 111.95 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 0.35 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.05 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.41 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.72 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.22 110.555 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.53 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 1.91 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.03 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 0.45 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 1.45 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.05 111.106 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.875 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 0.26 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.31 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.21 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 0.3 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.52 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 0.35 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 75.5 m-70 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65 111.334 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 120.991 0.424 . . . . 2.08 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.05 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.41 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.72 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.22 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.53 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 1.91 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.03 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 0.45 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 1.45 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.458 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.05 111.042 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 0.87 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.26 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.5 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.31 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.673 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.21 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 0.3 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 3.52 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 0.35 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 59.8 m-70 . . . . . 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65 112.671 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.553 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 121.1 0.476 . . . . 2.08 111.369 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 0.35 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.05 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.41 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.72 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.22 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.53 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 1.91 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.03 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 0.45 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 1.45 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 0.87 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 0.26 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.31 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.729 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.21 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 0.3 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.667 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 3.52 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.729 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 0.35 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 83.1 m-70 . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65 112.195 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.686 0.279 . . . . 2.08 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.35 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.05 111.092 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.41 111.558 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.72 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.693 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.22 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.53 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 1.91 109.348 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.03 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 0.45 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 1.45 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.05 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 0.87 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 0.26 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.31 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.71 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.21 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 0.3 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 3.52 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 0.35 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65 112.148 -179.543 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.034 0.445 . . . . 2.08 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 0.35 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.05 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.41 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.72 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.22 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.53 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 1.91 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.03 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 0.45 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 17' ' ' ASN . 1.6 t-20 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 1.45 109.711 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.05 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 0.87 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 0.26 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.31 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.21 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 0.3 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 3.52 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 0.35 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 . . . . . 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65 111.854 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.476 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.724 1.009 . . . . 2.08 113.724 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 0.35 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.05 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.41 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.72 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.22 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.53 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 1.91 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.03 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 0.45 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 1.45 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.05 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 0.87 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.26 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.6 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.31 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.21 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 0.3 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 3.52 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 72.4 m-70 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65 112.174 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.599 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.506 0.194 . . . . 2.08 110.608 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 0.35 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.05 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.41 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.72 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.22 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.53 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 1.91 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.03 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 0.45 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 1.45 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.599 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 0.87 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.26 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.31 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.21 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.3 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 3.52 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 0.35 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 84.1 m-70 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65 110.222 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.819 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.695 0.283 . . . . 2.08 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 0.35 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.05 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.41 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.72 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.22 111.197 -175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.53 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 1.91 109.977 174.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.03 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 0.45 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 1.45 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.05 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.819 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 0.87 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.26 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.31 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.702 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.21 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 0.3 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 3.52 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 0.35 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.1 m-70 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65 111.316 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 19' ' ' LEU . 51.5 m-85 . . . . . 0 CA--C 1.516 -0.361 0 CA-C-O 120.908 0.385 . . . . 2.08 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.05 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.41 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.72 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.22 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.53 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 1.91 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.03 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 0.45 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 1.45 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.05 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 0.87 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.31 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.752 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.21 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 0.3 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 3.52 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.752 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 0.35 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.408 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 90.0 m-70 . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65 110.937 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.91 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.029 0.442 . . . . 2.08 110.261 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 0.35 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.05 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.41 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.72 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.22 110.905 -174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.53 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 1.91 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.03 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 0.45 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 1.45 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.91 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 0.87 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.26 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.31 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.713 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.21 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 0.3 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 3.52 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 0.35 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65 111.296 177.379 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.571 0.224 . . . . 2.08 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.35 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.05 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.41 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.72 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.22 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.53 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 1.91 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.03 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 0.45 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 1.45 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.05 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 0.87 109.426 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.26 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG2' ' HA ' ' A' ' 18' ' ' SER . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.31 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.755 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.21 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 0.3 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 3.52 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 0.35 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 85.0 m-70 . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65 111.073 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.642 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 120.655 0.264 . . . . 2.08 110.395 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 0.35 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.599 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.05 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.41 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.72 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.591 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.22 111.67 -176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.53 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 1.91 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.03 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 0.45 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 1.45 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.05 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 0.87 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 0.26 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.31 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.694 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.21 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 0.3 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 3.52 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 0.35 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 93.9 m-70 . . . . . 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.558 174.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.782 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 121.0 0.429 . . . . 2.08 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 0.35 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.05 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.41 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.72 110.788 179.454 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.22 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HD2' HD23 ' A' ' 19' ' ' LEU . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.53 110.704 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 1.91 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.03 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 0.45 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 1.45 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.05 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 0.87 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 0.26 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.31 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.795 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.21 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 0.3 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 3.52 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.795 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 0.35 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 . . . . . 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65 111.28 178.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 . . . . . 0 CA--C 1.518 -0.254 0 CA-C-O 120.972 0.415 . . . . 2.08 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 0.35 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.05 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.41 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.72 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.22 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.53 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 1.91 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.03 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 0.45 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 1.45 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 0.87 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 0.26 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.31 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.738 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.21 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 0.3 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 3.52 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.738 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 0.35 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65 111.789 178.451 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.603 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 98.7 m-85 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.908 0.385 . . . . 2.08 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 0.35 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.05 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.41 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.72 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.79 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.22 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' HD23 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.53 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 1.91 109.252 176.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.03 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 0.45 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.05 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 0.87 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.26 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.31 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.21 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 0.3 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 3.52 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 0.35 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' NE2' ' NE2' ' A' ' 22' ' ' HIS . 88.6 m-70 . . . . . 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65 111.072 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.4 m-85 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 109.556 -0.535 . . . . 2.08 109.556 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.35 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.05 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.41 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.72 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.22 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.53 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 1.91 109.18 172.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.03 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 0.45 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 1.45 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.05 111.208 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 0.87 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 0.26 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 2.1 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.31 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.21 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 0.3 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 3.52 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.679 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 0.35 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65 110.669 175.055 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.11 0.481 . . . . 2.08 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 0.35 111.676 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.05 111.984 -173.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.41 112.584 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.72 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.22 111.179 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.53 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.281 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.03 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 0.45 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 1.45 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.05 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 0.87 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.26 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.31 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.674 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.21 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 0.3 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 3.52 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 0.35 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65 113.5 -175.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.877 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 . . . . . 0 N--CA 1.457 -0.125 0 N-CA-C 109.963 -0.384 . . . . 2.08 109.963 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 0.35 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.696 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.05 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.41 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.72 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.22 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.53 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 1.91 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.03 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 0.45 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 1.45 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.877 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 0.87 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 0.26 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.3 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.31 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.79 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.6 t60 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.21 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 0.3 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 3.52 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.79 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 0.35 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65 111.362 178.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.737 0.303 . . . . 2.08 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 0.35 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.05 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.41 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.72 110.655 175.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD2' ' SG ' ' A' ' 9' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.22 111.707 -174.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.53 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 1.91 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.03 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 0.45 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 1.45 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.87 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 0.26 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.31 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.789 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.21 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 0.3 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 3.52 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.789 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 0.35 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65 112.129 179.41 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' A' ' 2' ' ' ILE . 79.8 m-70 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.866 -0.42 . . . . 5.41 109.866 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' H ' ' HB3' ' A' ' 1' ' ' HIS . 8.4 tt -67.06 80.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 CA-C-O 121.823 0.821 . . . . 3.02 111.434 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.652 HD13 ' HD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -92.34 -34.52 14.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.102 -0.499 . . . . 2.91 112.14 179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.925 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 14.7 m-85 -127.15 149.11 50.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.994 0.426 . . . . 2.08 111.057 -178.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 135.15 31.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.991 -0.55 . . . . 0.35 111.34 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 49.5 t -86.66 102.64 14.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.174 -0.921 . . . . 0.37 108.768 175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 8' ' ' SER . 2.0 t70 -70.9 171.04 11.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.51 -0.314 . . . . 2.05 110.857 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 41.3 t 77.49 -55.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.586 0.754 . . . . 1.41 110.904 -173.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 -23.54 19.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.115 0.484 . . . . 0.72 110.291 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.46 32.97 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.668 -0.696 . . . . 0.62 113.05 173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.5 m-20 -81.41 125.68 30.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.557 0.218 . . . . 1.24 110.424 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HD2' HD11 ' A' ' 2' ' ' ILE . 37.0 mmtm -101.7 106.22 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 2.22 111.018 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 19' ' ' LEU . 71.8 m-85 -102.94 141.3 35.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.686 0.755 . . . . 0.53 112.5 -178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.9 mp -94.93 -14.75 24.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.782 -1.099 . . . . 1.91 108.407 174.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 21.9 m-20 -100.11 146.64 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.407 -1.27 . . . . 2.03 109.459 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -40.05 10.97 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.926 -1.139 . . . . 0.45 107.926 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -63.7 -39.31 94.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.72 -1.582 . . . . 1.45 110.456 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 24.0 m -76.84 -33.4 57.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 1.05 110.339 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.925 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.1 tm? -62.21 -59.81 4.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.745 -0.465 . . . . 0.87 109.745 178.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.83 -40.05 75.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.682 -0.69 . . . . 0.26 111.955 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.4 pt20 -71.1 -24.72 62.35 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 120.349 -0.541 . . . . 1.31 110.051 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.75 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.9 t60 -73.12 -41.56 63.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.21 110.062 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.83 -23.22 32.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.121 -0.696 . . . . 0.3 109.121 174.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 77.9 mtp180 -72.01 -42.91 65.84 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.649 -0.705 . . . . 3.52 110.904 173.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.75 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.1 pt -60.42 -20.81 21.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 C-N-CA 120.279 -0.568 . . . . 0.35 110.794 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 88.0 m-70 -76.51 -38.74 54.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.65 111.028 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -72.61 -30.49 64.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.309 0.576 . . . . 1.94 110.205 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.06 178.19 5.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.538 -0.755 . . . . 2.81 111.012 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.792 -0.623 . . . . 6.36 110.044 178.376 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.021 -0.362 . . . . 5.41 110.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 12' ' ' LYS . 50.5 mm -92.41 96.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.889 0.376 . . . . 3.02 110.097 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.8 -56.03 3.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.073 -0.512 . . . . 2.91 110.91 -176.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.875 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 22.7 m-85 -99.28 148.29 24.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.19 0.519 . . . . 2.08 111.95 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.62 134.83 45.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 0.35 111.027 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.8 t -83.61 116.54 22.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.481 -0.782 . . . . 0.37 109.283 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.52 169.73 14.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.355 . . . . 2.05 110.436 -176.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 m 76.03 -53.87 0.61 Allowed 'General case' 0 CA--C 1.532 0.288 0 O-C-N 123.833 0.708 . . . . 1.41 111.562 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 -22.18 17.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.72 111.616 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.64 34.89 33.84 Favored Glycine 0 C--N 1.333 0.366 0 CA-C-N 115.809 -0.632 . . . . 0.62 112.939 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.9 m-20 -78.42 131.04 36.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.601 0.239 . . . . 1.24 110.674 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' ILE . 46.7 mmtm -99.73 102.99 14.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.387 -0.369 . . . . 2.22 110.555 -177.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.4 m-85 -102.53 135.02 44.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.821 0.819 . . . . 0.53 112.877 -177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -91.14 7.75 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.688 -1.142 . . . . 1.91 110.31 176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -141.75 145.45 34.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 2.03 108.722 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.07 9.03 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.898 0.856 . . . . 0.45 109.223 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -55.02 -47.92 74.07 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.105 -1.407 . . . . 1.45 110.318 176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -72.29 -23.35 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.601 . . . . 1.05 111.106 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.875 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.0 tm? -73.31 -58.99 2.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.78 -0.452 . . . . 0.87 109.78 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.47 -36.96 69.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.96 -0.564 . . . . 0.26 111.844 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.4 pt20 -70.97 -26.43 63.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.096 0.474 . . . . 1.31 109.908 177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.693 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.5 t60 -73.96 -39.72 63.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.815 -0.63 . . . . 0.21 110.182 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.27 -18.42 23.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.402 0.62 . . . . 0.3 109.689 175.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 77.8 mtt180 -80.33 -42.02 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.52 110.643 174.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 22' ' ' HIS . 14.7 pt -59.25 -23.21 24.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 C-N-CA 120.407 -0.517 . . . . 0.35 110.641 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 75.5 m-70 -69.66 -31.02 68.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.993 -0.549 . . . . 0.65 111.334 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -81.55 -45.2 16.23 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.132 -0.692 . . . . 1.94 109.132 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' GLN . . . -172.32 -80.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.139 -0.937 . . . . 2.81 109.298 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 9.0 tt0 . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.145 -0.934 . . . . 6.36 108.634 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.673 0.273 . . . . 5.41 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.5 pp -99.96 125.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.245 0.545 . . . . 3.02 109.623 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -88.74 -69.72 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 2.91 110.964 -171.29 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 38.1 m-85 -126.2 146.58 49.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.991 0.424 . . . . 2.08 110.963 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.9 120.35 33.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.168 -178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 47.8 t -70.22 121.13 16.99 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.781 -0.822 . . . . 0.37 108.781 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.14 161.17 29.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.346 -0.388 . . . . 2.05 111.105 -173.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t 79.57 -48.93 0.38 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.76 0.824 . . . . 1.41 111.31 178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 -29.34 15.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.72 111.078 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.49 42.22 7.98 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.578 -0.737 . . . . 0.62 112.51 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.3 m-20 -94.46 109.35 21.23 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.194 -0.298 . . . . 1.24 110.194 -176.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -98.21 109.51 22.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.999 0.428 . . . . 2.22 111.135 -177.046 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -102.52 152.23 21.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.938 -0.574 . . . . 0.53 111.089 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -99.27 23.27 9.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.246 0.546 . . . . 1.91 110.055 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -147.77 151.15 35.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.365 -0.834 . . . . 2.03 108.853 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.68 7.66 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 122.029 0.919 . . . . 0.45 109.364 -171.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -53.22 -49.47 66.72 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 113.973 -1.467 . . . . 1.45 110.857 176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.458 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 15.6 m -67.17 -29.49 69.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.556 -0.747 . . . . 1.05 111.042 -178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -73.65 -58.38 3.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.528 -0.305 . . . . 0.87 110.301 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -55.89 -36.92 68.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.26 111.852 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.5 pt20 -73.31 -23.48 60.27 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.067 0.46 . . . . 1.31 109.91 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.673 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.3 t60 -73.95 -39.55 63.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.173 0.511 . . . . 0.21 109.847 177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.45 -18.37 23.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 120.313 -0.555 . . . . 0.3 109.557 173.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -74.09 -47.51 35.87 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.517 -0.765 . . . . 3.52 110.037 171.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.4 pt -58.2 -20.56 15.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 120.639 -0.424 . . . . 0.35 111.672 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -73.72 3.32 6.61 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.671 0.619 . . . . 0.65 112.671 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -94.45 -5.89 45.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.983 0.42 . . . . 1.94 110.557 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.53 -56.25 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 2.81 110.562 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 6.36 111.719 179.114 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.1 m80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.729 -0.471 . . . . 5.41 109.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.879 HD12 ' HG2' ' A' ' 12' ' ' LYS . 20.9 pt -108.69 85.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.478 0.656 . . . . 3.02 112.315 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 tp -90.54 -45.92 8.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.098 -0.501 . . . . 2.91 110.492 175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.553 ' HB3' HD12 ' A' ' 19' ' ' LEU . 62.4 m-85 -81.67 69.35 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.453 -0.794 . . . . 2.08 111.369 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -97.07 137.83 35.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.116 -0.493 . . . . 0.35 111.782 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.7 t -79.85 117.46 20.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.702 -0.681 . . . . 0.37 109.333 172.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 8' ' ' SER . 23.4 t70 -72.23 161.37 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.799 -0.637 . . . . 2.05 112.077 -173.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' ASP . 65.3 m 77.53 -50.31 0.52 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.102 0.961 . . . . 1.41 111.987 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -27.83 18.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.72 110.418 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.1 42.71 6.97 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.423 -0.808 . . . . 0.62 112.422 176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.9 m-20 -97.09 91.71 5.7 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.509 -0.552 . . . . 1.24 109.509 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.879 ' HG2' HD12 ' A' ' 2' ' ' ILE . 10.3 mptt -81.98 105.59 13.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.483 -0.326 . . . . 2.22 110.988 -174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -101.1 166.51 10.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.189 0.519 . . . . 0.53 110.693 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mp -115.23 19.77 15.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.011 -0.737 . . . . 1.91 109.011 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 36.4 t70 -143.95 143.09 31.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.081 -0.963 . . . . 2.03 109.677 -175.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.92 -39.52 11.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.606 0.717 . . . . 0.45 109.324 -172.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -52.27 -49.5 63.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.303 -1.317 . . . . 1.45 110.81 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 8.9 m -76.89 -25.37 52.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.763 -0.653 . . . . 1.05 110.854 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -63.91 -62.48 1.61 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.01 -0.737 . . . . 0.87 109.01 176.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -52.54 -44.49 65.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.166 -1.379 . . . . 0.26 112.145 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 13.1 pt20 -63.6 -29.52 70.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.197 0.522 . . . . 1.31 110.111 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.729 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.9 t60 -77.03 -37.65 54.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.711 -0.677 . . . . 0.21 110.264 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.82 -23.57 29.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 C-N-CA 119.795 -0.762 . . . . 0.3 109.351 173.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.667 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.7 mtt180 -69.7 -43.12 73.09 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.794 -0.639 . . . . 3.52 110.134 174.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.729 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -62.59 -16.71 17.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 119.638 -0.825 . . . . 0.35 111.188 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -85.42 -15.18 43.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.195 0.443 . . . . 0.65 112.195 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -87.39 12.99 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.839 -0.344 . . . . 1.94 110.782 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.16 145.29 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.348 -0.842 . . . . 2.81 111.106 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 6.36 109.68 179.181 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.352 -0.24 . . . . 5.41 110.352 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.412 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.2 pt -65.4 113.38 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 3.02 109.917 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.44 -57.58 2.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.801 -0.636 . . . . 2.91 110.673 -172.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.602 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 64.0 m-85 -121.1 151.52 39.76 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.251 -0.431 . . . . 2.08 110.258 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.6 134.11 42.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.35 111.638 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.2 t -88.81 105.6 17.83 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.817 -0.809 . . . . 0.37 108.817 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -72.65 170.26 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 2.05 111.092 -174.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 m 77.76 -47.68 0.48 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.862 0.865 . . . . 1.41 111.558 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 -28.11 14.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.303 0.573 . . . . 0.72 110.725 176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.29 6.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.605 -0.725 . . . . 0.62 112.579 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.693 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.5 m-20 -99.06 101.64 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.671 0.272 . . . . 1.24 110.497 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -89.22 110.55 21.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 2.22 111.062 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 19' ' ' LEU . 66.5 m-85 -101.98 154.37 19.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.312 0.577 . . . . 0.53 111.177 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 2' ' ' ILE . 44.7 mt -102.9 -0.27 31.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.661 0.743 . . . . 1.91 109.348 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -129.29 154.61 46.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.8 -1.091 . . . . 2.03 109.474 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.12 -46.9 7.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.837 0.827 . . . . 0.45 109.465 -171.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -52.01 -48.94 64.24 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 113.769 -1.56 . . . . 1.45 111.355 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.5 p -66.5 -44.21 83.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.944 -0.571 . . . . 1.05 110.878 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -58.37 -60.29 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 0.87 110.747 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -58.17 -38.41 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.15 -0.477 . . . . 0.26 112.199 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.591 ' O ' HG23 ' A' ' 25' ' ' ILE . 6.1 pt20 -74.01 -22.6 59.52 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.995 -0.682 . . . . 1.31 109.816 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.71 ' O ' HG12 ' A' ' 25' ' ' ILE . 64.3 t60 -73.07 -42.26 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.129 -0.487 . . . . 0.21 109.965 176.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.72 -19.05 25.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.261 -0.575 . . . . 0.3 109.551 174.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 21' ' ' GLN . 40.6 mtp180 -76.21 -44.4 37.93 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.498 -0.774 . . . . 3.52 110.808 171.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.71 HG12 ' O ' ' A' ' 22' ' ' HIS . 20.4 pt -58.31 -23.78 23.0 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 120.307 -0.557 . . . . 0.35 111.015 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -72.16 -26.96 62.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.968 -0.56 . . . . 0.65 112.148 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 24' ' ' ARG . 6.5 t -100.02 -4.53 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.099 0.475 . . . . 1.94 110.397 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.54 154.24 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.714 -0.675 . . . . 2.81 110.631 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.15 -0.928 . . . . 6.36 110.539 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.861 -0.422 . . . . 5.41 109.861 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.736 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -100.14 70.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.681 0.753 . . . . 3.02 111.216 -176.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.79 -40.57 65.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.503 -0.771 . . . . 2.91 111.865 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -68.24 107.51 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 2.08 110.221 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.73 127.64 53.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.303 0.573 . . . . 0.35 112.513 -171.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 48.1 t -84.61 102.23 12.75 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.15 -0.932 . . . . 0.37 108.851 172.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.38 159.98 9.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.698 -0.683 . . . . 2.05 111.861 -175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m 80.97 -39.63 0.15 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.775 0.83 . . . . 1.41 112.131 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -36.64 8.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.916 0.389 . . . . 0.72 110.79 177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.59 27.53 9.69 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.94 -0.647 . . . . 0.62 112.683 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -82.12 122.71 28.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.749 -0.463 . . . . 1.24 109.749 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -105.91 110.39 22.66 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.893 -0.41 . . . . 2.22 109.893 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -101.71 152.38 20.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.617 0.722 . . . . 0.53 112.308 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.9 tp -90.16 -29.57 18.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.669 -1.15 . . . . 1.91 109.469 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.03 147.19 30.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.09 -0.959 . . . . 2.03 109.592 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.27 -35.26 14.58 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.102 0.953 . . . . 0.45 109.305 -171.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 17' ' ' ASN . 1.6 t-20 -64.31 -41.97 96.58 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.162 -1.381 . . . . 1.45 109.711 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.482 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 14.5 m -72.98 -26.71 61.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.143 -0.935 . . . . 1.05 110.585 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.0 tm? -68.71 -57.41 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.614 -0.513 . . . . 0.87 109.614 177.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.44 -36.89 69.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.828 -0.624 . . . . 0.26 112.074 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 11.4 pt20 -76.24 -20.37 57.48 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.438 -0.505 . . . . 1.31 110.123 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.685 ' O ' HG12 ' A' ' 25' ' ' ILE . 46.3 t60 -75.24 -39.84 59.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.21 109.737 176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -64.21 -18.27 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.232 -0.655 . . . . 0.3 109.232 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.1 mtt180 -83.38 -35.06 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.358 -0.837 . . . . 3.52 111.28 174.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 22' ' ' HIS . 13.2 pt -63.78 -22.39 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 119.555 -0.858 . . . . 0.35 110.734 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 83.1 m-70 -70.91 -29.98 66.19 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.197 -0.456 . . . . 0.65 111.854 -179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.0 p -88.19 -23.08 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.892 -0.323 . . . . 1.94 110.383 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.61 103.99 0.03 OUTLIER 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.989 0.806 . . . . 2.81 111.348 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--O 1.248 1.003 0 CA-C-N 115.32 -0.855 . . . . 6.36 110.317 -174.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 121.436 0.636 . . . . 5.41 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.411 ' H ' HG13 ' A' ' 2' ' ' ILE . 2.0 pp -92.15 43.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.386 0.612 . . . . 3.02 111.125 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.83 0.25 51.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.599 -0.728 . . . . 2.91 111.291 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.476 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 62.2 m-85 -22.65 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.927 1.392 . . . . 2.08 113.724 -168.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.664 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -109.19 126.35 53.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.228 -0.897 . . . . 0.35 112.011 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 45.4 t -72.56 108.39 5.58 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.85 -1.068 . . . . 0.37 108.624 172.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -70.48 164.55 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.233 -0.44 . . . . 2.05 110.992 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m 79.41 -46.36 0.36 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.847 0.859 . . . . 1.41 111.764 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -29.74 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.195 0.521 . . . . 0.72 110.452 176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.59 42.86 6.32 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 115.575 -0.739 . . . . 0.62 112.329 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.4 m-20 -101.95 97.37 7.73 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.721 -0.474 . . . . 1.24 109.721 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -99.66 110.48 22.9 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.328 0.585 . . . . 2.22 111.066 -174.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.37 157.07 17.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.372 -0.831 . . . . 0.53 111.007 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mp -92.45 -2.11 56.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.121 -0.945 . . . . 1.91 109.495 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -127.52 142.83 51.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.058 -0.973 . . . . 2.03 109.099 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.16 -37.89 13.07 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.667 0.746 . . . . 0.45 109.365 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -56.25 -45.2 80.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.291 -1.322 . . . . 1.45 110.507 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 m -72.1 -32.28 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.93 -0.577 . . . . 1.05 110.785 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 1.7 tm? -67.79 -60.11 2.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.228 -0.442 . . . . 0.87 110.373 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.56 -37.58 68.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.26 112.403 -177.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.6 pt20 -74.97 -24.16 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.095 0.474 . . . . 1.31 110.036 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 25' ' ' ILE . 39.5 t60 -71.86 -40.34 69.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.964 -0.562 . . . . 0.21 109.856 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -62.52 -18.95 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.626 0.727 . . . . 0.3 109.351 175.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.7 mtp85 -85.0 -41.97 15.32 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.176 -0.92 . . . . 3.52 111.149 175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.1 pt -57.75 -17.43 7.8 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 111.324 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -70.62 5.44 1.86 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.174 0.435 . . . . 0.65 112.174 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.8 t -80.99 -8.42 59.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.473 0.654 . . . . 1.94 109.537 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.31 -31.44 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.721 -0.672 . . . . 2.81 111.04 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.321 -0.847 . . . . 6.36 110.572 -179.154 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 111.41 0.152 . . . . 5.41 111.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -135.55 144.6 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.051 0.453 . . . . 3.02 110.407 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -90.68 -61.12 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 2.91 110.382 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.599 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 72.4 m-85 -112.4 157.57 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.506 -0.315 . . . . 2.08 110.608 -177.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.11 121.05 11.34 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.234 0.54 . . . . 0.35 111.946 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 43.9 t -74.62 104.76 5.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.296 -0.866 . . . . 0.37 108.756 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.06 169.49 14.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.27 -0.423 . . . . 2.05 111.117 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 t 79.74 -50.85 0.39 Allowed 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.566 0.747 . . . . 1.41 110.677 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -28.71 15.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.122 0.487 . . . . 0.72 110.388 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.96 42.41 6.0 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.706 -0.679 . . . . 0.62 112.678 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.7 m-20 -99.22 101.09 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.632 0.253 . . . . 1.24 110.642 -173.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -87.53 113.36 23.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.068 -0.345 . . . . 2.22 110.068 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD2' HD23 ' A' ' 19' ' ' LEU . 53.6 m-85 -103.65 148.47 25.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.236 0.541 . . . . 0.53 111.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.34 -7.21 48.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.451 -0.795 . . . . 1.91 110.075 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -125.45 152.15 45.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.391 -0.822 . . . . 2.03 109.253 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.84 -42.9 10.38 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.962 0.887 . . . . 0.45 109.07 -172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -57.31 -44.65 84.34 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 113.767 -1.56 . . . . 1.45 110.389 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -70.23 -29.1 65.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.22 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -71.94 -59.37 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.897 -0.409 . . . . 0.87 109.897 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.07 -39.44 72.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.26 111.876 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' ILE . 7.9 pt20 -68.02 -27.6 66.69 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.093 0.473 . . . . 1.31 109.788 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' O ' HG12 ' A' ' 25' ' ' ILE . 57.0 t60 -74.92 -39.16 61.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.21 110.346 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.46 -19.1 24.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.3 109.275 174.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 41.6 mtm105 -80.34 -39.12 29.2 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.645 -0.707 . . . . 3.52 110.891 173.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 22' ' ' HIS . 18.9 pt -64.67 -13.14 14.0 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 120.269 -0.572 . . . . 0.35 111.249 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 84.1 m-70 -80.79 -39.57 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.031 0.443 . . . . 0.65 110.222 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.4 m -79.56 -52.44 8.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 1.94 111.09 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.68 158.86 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.267 -0.424 . . . . 2.81 110.777 -175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.88 -0.581 . . . . 6.36 110.186 -178.588 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.979 0.419 . . . . 5.41 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.654 HG21 ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -128.92 169.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.855 -0.611 . . . . 3.02 110.043 175.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.95 -57.82 3.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 2.91 109.517 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.819 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -137.61 157.93 45.46 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 2.08 110.274 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.02 134.98 45.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.163 0.506 . . . . 0.35 111.073 -178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 38.7 t -83.84 105.87 15.08 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.325 -0.852 . . . . 0.37 108.866 177.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.35 165.59 22.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.508 -0.769 . . . . 2.05 111.397 -173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 m 77.14 -47.48 0.51 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.058 0.943 . . . . 1.41 111.677 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -40.99 12.4 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.045 -0.409 . . . . 0.72 110.28 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.82 36.12 4.08 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.816 -0.707 . . . . 0.62 112.699 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.656 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 5.2 m-20 -88.08 128.07 35.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.141 -0.318 . . . . 1.24 110.141 -175.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB3' HG21 ' A' ' 2' ' ' ILE . 72.5 mmtt -109.67 103.43 12.28 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.789 0.328 . . . . 2.22 111.197 -175.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' CD2' HD23 ' A' ' 19' ' ' LEU . 88.9 m-85 -102.24 141.7 34.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.385 0.612 . . . . 0.53 112.291 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 2' ' ' ILE . 90.5 mt -93.92 20.95 7.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.58 -0.736 . . . . 1.91 109.977 174.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -150.62 151.71 32.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.744 -0.836 . . . . 2.03 108.744 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.63 -44.79 8.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.916 0.865 . . . . 0.45 109.232 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -56.47 -45.15 81.07 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.084 -1.417 . . . . 1.45 110.757 177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m -69.1 -21.99 64.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 1.05 111.012 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.819 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.4 tm? -78.43 -57.02 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.734 -0.469 . . . . 0.87 109.734 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.45 -39.94 70.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.684 -0.689 . . . . 0.26 111.574 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.5 pt20 -70.57 -22.26 62.6 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.044 0.45 . . . . 1.31 110.497 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.702 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.0 t60 -76.37 -39.43 53.82 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.649 -0.5 . . . . 0.21 109.649 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.08 -18.07 23.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 120.11 -0.636 . . . . 0.3 109.461 173.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 4.7 mmp_? -69.9 -48.75 57.4 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.796 -0.638 . . . . 3.52 109.908 170.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 22' ' ' HIS . 8.4 pt -58.28 -24.81 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 120.379 -0.528 . . . . 0.35 111.731 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -75.07 -42.65 56.43 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.678 -0.237 . . . . 0.65 111.316 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 24' ' ' ARG . 14.2 t -77.25 -19.54 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 1.94 110.939 -176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.27 171.7 14.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 2.81 110.569 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.329 -0.843 . . . . 6.36 109.807 178.277 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.669 0.271 . . . . 5.41 111.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 75.2 mt -134.75 86.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.233 -0.654 . . . . 3.02 109.233 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -58.35 2.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 2.91 110.244 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.688 ' HB3' HD22 ' A' ' 19' ' ' LEU . 51.5 m-85 -118.58 150.8 39.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 2.08 110.924 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.45 121.21 11.9 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.468 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.1 t -72.64 108.61 5.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.568 -0.901 . . . . 0.37 108.568 171.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.66 168.51 19.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.315 -0.402 . . . . 2.05 111.044 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t 78.91 -50.05 0.44 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.076 0.951 . . . . 1.41 110.686 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -32.53 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.72 110.481 177.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.36 6.72 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 115.708 -0.678 . . . . 0.62 112.812 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 1.3 m-20 -88.94 110.4 21.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.688 0.244 . . . . 1.24 110.584 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.33 104.47 16.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.954 0.407 . . . . 2.22 111.171 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 142.55 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.883 -0.599 . . . . 0.53 111.591 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.1 mt -98.93 30.07 3.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.569 0.699 . . . . 1.91 109.609 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -151.42 141.27 21.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.045 -0.98 . . . . 2.03 108.787 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.47 -43.45 9.18 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.899 0.856 . . . . 0.45 109.33 -172.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -55.02 -49.02 72.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.129 -1.396 . . . . 1.45 110.475 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 18.7 t -70.3 -30.17 67.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.707 -0.679 . . . . 1.05 110.601 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 4' ' ' TYR . 27.4 tp -64.28 -52.85 56.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.211 -0.292 . . . . 0.87 110.211 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -62.74 -41.58 99.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.26 111.318 -176.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 7.3 pt20 -66.34 -26.26 67.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.286 0.565 . . . . 1.31 109.688 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.752 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.7 t60 -73.75 -43.72 58.24 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.592 -0.731 . . . . 0.21 110.215 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -66.22 -21.67 29.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 C-N-CA 119.984 -0.686 . . . . 0.3 109.689 174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 99.8 mtt180 -71.9 -40.41 68.87 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.772 -0.649 . . . . 3.52 110.589 172.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.752 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.1 pt -61.93 -23.78 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 119.199 -1.0 . . . . 0.35 110.228 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -79.64 -6.31 56.85 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.031 -0.531 . . . . 0.65 110.937 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.4 m -90.44 15.53 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.481 0.658 . . . . 1.94 109.725 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 66.25 68.02 0.45 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.923 -1.035 . . . . 2.81 111.647 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.775 -0.631 . . . . 6.36 109.513 174.276 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.777 0.322 . . . . 5.41 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.629 HG12 ' HB3' ' A' ' 12' ' ' LYS . 2.5 mp -86.64 127.54 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.94 -0.573 . . . . 3.02 109.686 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.7 tm? -90.6 -48.43 7.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 2.91 109.809 -177.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.91 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -138.17 131.59 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.019 -0.537 . . . . 2.08 110.261 -178.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.55 133.1 56.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.122 0.487 . . . . 0.35 112.007 -176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 13.8 t -86.6 98.76 11.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.588 -0.893 . . . . 0.37 108.588 174.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.26 171.18 13.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.383 -0.371 . . . . 2.05 110.645 -177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 m 78.92 -43.35 0.33 Allowed 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.898 0.749 . . . . 1.41 111.292 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 -24.05 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.89 0.376 . . . . 0.72 110.692 174.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.68 33.05 17.02 Favored Glycine 0 C--N 1.332 0.325 0 CA-C-N 115.947 -0.569 . . . . 0.62 113.18 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.0 m-20 -91.31 109.62 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.687 -0.486 . . . . 1.24 109.687 -176.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HB3' HG12 ' A' ' 2' ' ' ILE . 32.2 mmtp -99.2 106.45 18.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.719 0.295 . . . . 2.22 110.905 -174.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -101.54 146.51 27.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.477 0.655 . . . . 0.53 111.797 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.76 -13.46 27.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.509 -0.769 . . . . 1.91 109.308 175.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -107.21 147.58 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.098 -0.956 . . . . 2.03 108.839 175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.48 -35.34 14.38 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.245 -1.02 . . . . 0.45 108.245 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -54.37 -50.03 68.45 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.845 -1.525 . . . . 1.45 110.779 177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 m -73.79 -26.92 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.66 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.91 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.0 tm? -69.91 -58.81 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.458 . . . . 0.87 110.136 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -55.38 -39.36 70.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.26 111.918 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.9 pt20 -72.76 -24.26 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.05 0.452 . . . . 1.31 109.856 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.713 ' O ' HG12 ' A' ' 25' ' ' ILE . 65.4 t60 -73.16 -39.79 65.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.886 -0.597 . . . . 0.21 109.769 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.15 -19.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.421 -0.585 . . . . 0.3 109.421 173.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 22.5 mmm180 -76.8 -41.68 43.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.685 -0.688 . . . . 3.52 110.491 173.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 22' ' ' HIS . 17.3 pt -60.73 -23.37 28.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 119.99 -0.684 . . . . 0.35 111.124 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -75.68 -14.16 60.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.165 -0.471 . . . . 0.65 111.296 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 m -89.41 -29.44 19.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.765 0.317 . . . . 1.94 111.355 -177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.73 -178.49 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.644 0.259 . . . . 2.81 111.458 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 115.292 -0.867 . . . . 6.36 110.832 -178.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.968 -0.382 . . . . 5.41 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -117.64 135.41 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.19 0.519 . . . . 3.02 111.236 -174.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' ' HA ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.88 -50.31 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.542 -0.754 . . . . 2.91 110.308 -177.295 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -111.83 178.43 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.152 -0.476 . . . . 2.08 110.56 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HA ' ' HA ' ' A' ' 12' ' ' LYS . . . -158.78 121.9 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.956 0.408 . . . . 0.35 111.291 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 42.9 t -76.03 105.69 7.21 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.02 -0.733 . . . . 0.37 109.02 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.26 164.81 12.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.102 -0.499 . . . . 2.05 112.132 -173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 m 77.03 -49.92 0.55 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.836 -1.074 . . . . 1.41 111.782 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.69 -26.24 17.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.938 0.399 . . . . 0.72 110.794 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.3 37.12 10.06 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.62 112.692 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.8 m-20 -94.26 90.31 6.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.123 -0.325 . . . . 1.24 110.123 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.715 ' HA ' ' HA ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -89.51 104.03 16.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.751 0.786 . . . . 2.22 110.946 -176.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.89 148.29 25.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.336 -0.847 . . . . 0.53 110.341 178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -92.18 -3.75 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 1.91 109.491 172.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 18' ' ' SER . 3.0 m-20 -89.91 150.33 22.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.769 -1.105 . . . . 2.03 109.164 177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.03 -57.68 2.46 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 122.451 1.119 . . . . 0.45 108.335 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -57.53 -47.58 81.62 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.363 -1.744 . . . . 1.45 111.116 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 12.2 m -69.21 -24.63 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.91 -0.586 . . . . 1.05 111.317 -176.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' HIS . 2.9 tm? -73.58 -57.5 3.95 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.426 -0.583 . . . . 0.87 109.426 176.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -56.71 -37.92 71.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.26 111.953 178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' HG2' ' HA ' ' A' ' 18' ' ' SER . 12.4 pt20 -71.66 -24.55 61.87 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.358 -0.537 . . . . 1.31 110.02 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.755 ' O ' HG12 ' A' ' 25' ' ' ILE . 54.7 t60 -73.62 -38.56 65.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.206 0.526 . . . . 0.21 109.822 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -68.9 -18.97 23.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.221 -0.591 . . . . 0.3 109.591 174.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 29.4 mtm180 -73.56 -43.66 59.32 Favored 'General case' 0 C--O 1.23 0.056 0 CA-C-N 115.977 -0.556 . . . . 3.52 110.628 171.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.0 pt -58.5 -28.85 37.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.531 -0.468 . . . . 0.35 110.72 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -68.05 -24.1 65.04 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.733 0.301 . . . . 0.65 111.073 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.0 m -82.31 -40.0 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.506 . . . . 1.94 110.654 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.76 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.724 -0.671 . . . . 2.81 111.412 -176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.376 -0.821 . . . . 6.36 109.987 -175.443 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.913 0.387 . . . . 5.41 110.767 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' ' 12' ' ' LYS . 48.8 pt -93.48 46.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 3.02 110.856 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.2 tm? -78.73 -56.04 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.901 -0.591 . . . . 2.91 109.655 -177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.642 ' HB3' HD12 ' A' ' 19' ' ' LEU . 48.1 m-85 -108.22 148.06 30.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 2.08 110.395 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 11' ' ' ASP . . . -131.87 125.52 31.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 0.35 112.046 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.597 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 46.2 t -80.86 115.62 20.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.341 -0.985 . . . . 0.37 108.341 169.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.06 158.59 22.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.285 -0.416 . . . . 2.05 111.937 -172.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.8 p 72.36 -36.53 0.36 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.565 1.546 . . . . 1.41 113.234 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.95 -27.86 13.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.192 0.52 . . . . 0.72 110.666 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.7 22.83 52.35 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.704 -0.68 . . . . 0.62 113.002 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.591 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 6.9 m-20 -66.9 124.65 23.57 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.409 -0.219 . . . . 1.24 110.409 -176.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' ' 2' ' ' ILE . 43.2 mmtm -99.93 104.88 16.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.845 0.355 . . . . 2.22 111.67 -176.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.04 171.18 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.53 110.899 176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 tp -110.98 -6.92 14.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 1.91 109.457 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -124.26 155.02 39.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.53 -0.759 . . . . 2.03 110.144 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.67 -34.86 14.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.216 -1.031 . . . . 0.45 108.216 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -52.89 -49.75 65.26 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.993 -1.458 . . . . 1.45 110.957 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 22.9 m -76.44 -17.6 59.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.903 -0.59 . . . . 1.05 110.723 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 4' ' ' TYR . 2.2 tt -72.99 -61.61 1.75 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.064 -0.717 . . . . 0.87 109.064 176.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -53.63 -44.98 69.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.303 -1.317 . . . . 0.26 112.435 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' ILE . 2.2 pt20 -64.36 -28.23 69.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.303 0.573 . . . . 1.31 109.676 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.694 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -77.1 -37.41 54.33 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.587 -0.733 . . . . 0.21 110.35 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.63 -22.55 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 119.97 -0.692 . . . . 0.3 109.257 173.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 84.0 mtt180 -77.07 -38.08 53.27 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.291 -0.868 . . . . 3.52 110.756 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 22' ' ' HIS . 10.7 pt -61.98 -25.44 37.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 119.106 -1.037 . . . . 0.35 109.95 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 23' ' ' VAL . 93.9 m-70 -76.0 -41.91 49.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.128 -0.487 . . . . 0.65 110.558 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.3 m -73.15 -49.31 28.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.94 111.086 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.34 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 O-C-N 124.044 0.84 . . . . 2.81 111.948 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.792 -0.623 . . . . 6.36 109.864 -179.515 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.823 0.344 . . . . 5.41 110.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.6 pt -128.43 71.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.298 0.57 . . . . 3.02 109.507 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD22 ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -66.91 -62.85 1.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.712 -0.676 . . . . 2.91 110.96 -173.419 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.782 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 76.2 m-85 -116.35 110.6 18.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.0 0.429 . . . . 2.08 110.884 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.82 139.33 36.65 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 0.35 111.259 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 6.1 t -80.67 99.98 8.45 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.832 -0.803 . . . . 0.37 108.832 174.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.98 149.59 40.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.787 -0.642 . . . . 2.05 111.672 -174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 t 77.0 -40.56 0.37 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.774 0.829 . . . . 1.41 112.102 175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.67 -30.46 13.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.727 -0.389 . . . . 0.72 110.788 179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 37.77 4.99 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 115.564 0.985 . . . . 0.62 115.564 164.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 11.0 m-20 -98.1 163.19 12.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.097 0.948 . . . . 1.24 109.765 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.55 105.75 4.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.303 0.573 . . . . 2.22 111.083 -177.337 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HD2' HD23 ' A' ' 19' ' ' LEU . 70.7 m-85 -101.87 163.61 12.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.528 -0.76 . . . . 0.53 110.704 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.99 1.66 33.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 1.91 110.308 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -144.1 165.39 27.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.227 -0.657 . . . . 2.03 109.227 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.11 -29.54 17.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.748 0.785 . . . . 0.45 109.195 -172.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -55.14 -50.35 69.49 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.273 -1.331 . . . . 1.45 111.25 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -79.76 -22.79 42.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.99 -0.55 . . . . 1.05 110.597 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.782 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.3 tm? -77.93 -58.13 3.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.381 . . . . 0.87 110.491 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -56.89 -39.67 74.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.356 -0.384 . . . . 0.26 111.822 178.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.567 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 pt20 -72.08 -21.92 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.192 0.52 . . . . 1.31 109.669 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.795 ' O ' HG12 ' A' ' 25' ' ' ILE . 72.5 t60 -74.15 -42.21 60.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.21 109.722 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -67.45 -19.0 24.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 C-N-CA 120.008 -0.677 . . . . 0.3 109.359 174.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 37.4 mmt180 -70.56 -39.41 73.94 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.057 -0.519 . . . . 3.52 110.538 171.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.795 HG12 ' O ' ' A' ' 22' ' ' HIS . 5.6 pt -63.23 -18.18 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 118.959 -1.096 . . . . 0.35 109.98 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.6 -24.64 22.79 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 115.915 -0.584 . . . . 0.65 111.28 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -94.56 2.23 55.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.281 . . . . 1.94 111.127 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 71.23 145.79 0.07 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.266 -0.879 . . . . 2.81 111.494 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.437 -0.792 . . . . 6.36 110.457 -179.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 110.497 -0.186 . . . . 5.41 110.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 pt -129.15 111.93 24.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.066 0.46 . . . . 3.02 110.272 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 18.8 tp -89.94 -67.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.98 -0.555 . . . . 2.91 111.865 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.613 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 54.2 m-85 -94.41 147.41 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.327 -0.549 . . . . 2.08 111.356 -173.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.23 144.42 36.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 121.278 0.561 . . . . 0.35 111.642 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 22' ' ' HIS . 35.4 t -97.82 101.42 12.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.195 -0.911 . . . . 0.37 109.25 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.66 165.95 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.05 -0.523 . . . . 2.05 111.66 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m 80.08 -45.78 0.3 Allowed 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.99 0.916 . . . . 1.41 111.084 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -38.6 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.651 -0.499 . . . . 0.72 109.651 174.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 67.49 1.19 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.932 -0.651 . . . . 0.62 113.573 172.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -124.9 136.99 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.054 0.427 . . . . 1.24 111.011 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -108.41 111.48 23.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.407 -0.36 . . . . 2.22 110.419 -176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD2' HD23 ' A' ' 19' ' ' LEU . 72.0 m-85 -101.85 141.8 34.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.381 0.61 . . . . 0.53 112.111 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -87.34 -5.35 58.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.959 -1.018 . . . . 1.91 110.103 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 17' ' ' ASN . 27.4 t70 -134.35 150.13 50.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.381 -0.827 . . . . 2.03 109.048 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -41.02 11.16 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 121.743 0.783 . . . . 0.45 109.067 -170.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 7.4 t30 -55.39 -45.81 76.61 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.308 -1.315 . . . . 1.45 110.665 175.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 15.3 m -69.23 -27.46 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.841 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.613 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.7 tm? -72.53 -56.7 4.96 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.582 . . . . 0.87 109.43 176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.15 -41.1 71.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.522 -0.763 . . . . 0.26 111.78 177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' ILE . 10.9 pt20 -68.02 -26.38 65.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.511 . . . . 1.31 109.824 177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.738 ' O ' HG12 ' A' ' 25' ' ' ILE . 62.9 t60 -75.2 -39.09 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.799 -0.637 . . . . 0.21 110.115 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -69.01 -18.52 23.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.022 -0.671 . . . . 0.3 109.615 173.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.4 mtp180 -74.77 -42.7 57.67 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.821 -0.627 . . . . 3.52 110.394 171.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.738 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.3 pt -61.69 -16.03 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.028 -0.669 . . . . 0.35 111.0 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -81.5 1.75 32.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.267 -0.424 . . . . 0.65 111.789 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -70.69 -40.15 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.648 -0.871 . . . . 1.94 108.648 170.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.48 71.48 10.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.402 -0.817 . . . . 2.81 109.795 174.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.469 -0.787 . . . . 6.36 109.949 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.332 -0.248 . . . . 5.41 110.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.407 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 43.9 pt 43.61 38.54 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.125 0.97 . . . . 3.02 112.863 178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.04 -40.93 11.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.155 -0.475 . . . . 2.91 109.768 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 98.7 m-85 -94.48 145.13 25.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.901 -173.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 127.12 17.87 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.103 0.478 . . . . 0.35 111.953 -175.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 44.2 t -84.26 105.25 14.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.494 -0.928 . . . . 0.37 108.494 171.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.61 168.86 12.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.079 -0.509 . . . . 2.05 111.4 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m 77.44 -47.83 0.5 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 124.15 0.906 . . . . 1.41 111.538 177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -26.68 16.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.205 0.526 . . . . 0.72 110.576 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.31 55.52 3.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.62 112.13 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.79 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 8.7 m-20 -107.04 96.94 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.062 -0.347 . . . . 1.24 110.062 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -81.37 106.68 13.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.736 0.303 . . . . 2.22 110.491 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD2' HD23 ' A' ' 19' ' ' LEU . 30.1 m-85 -101.35 142.05 33.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.651 0.739 . . . . 0.53 112.2 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 2' ' ' ILE . 6.9 mp -86.98 -11.21 51.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.726 -1.124 . . . . 1.91 109.252 176.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.45 146.03 41.15 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.105 -0.952 . . . . 2.03 109.818 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -92.24 -42.47 9.84 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.226 -1.028 . . . . 0.45 108.226 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -54.6 -47.31 73.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.755 -1.566 . . . . 1.45 110.617 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -77.88 -21.08 51.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.112 -0.495 . . . . 1.05 111.29 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.5 tm? -70.76 -58.25 3.82 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.728 -0.471 . . . . 0.87 109.728 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.32 -33.5 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.899 -0.591 . . . . 0.26 111.0 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -69.12 -32.23 71.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.344 0.592 . . . . 1.31 110.207 175.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.751 ' O ' HG12 ' A' ' 25' ' ' ILE . 60.7 t60 -71.69 -40.22 69.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.868 -0.606 . . . . 0.21 110.665 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -67.11 -18.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.067 -0.653 . . . . 0.3 109.905 175.327 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 48.4 mtt180 -72.93 -40.94 65.02 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.971 -0.559 . . . . 3.52 110.846 172.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG12 ' O ' ' A' ' 22' ' ' HIS . 11.6 pt -63.02 -22.96 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 120.061 -0.656 . . . . 0.35 110.224 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -77.43 -38.28 49.91 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.947 -0.57 . . . . 0.65 111.072 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.3 p -72.66 -4.75 32.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.934 0.397 . . . . 1.94 111.644 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.06 139.45 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.405 -0.362 . . . . 2.81 110.237 176.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.253 1.25 0 O-C-N 123.726 0.641 . . . . 6.36 110.834 -177.87 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.986 0.422 . . . . 5.41 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mp -84.78 91.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.032 -0.531 . . . . 3.02 110.144 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.67 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.33 -26.07 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.287 -0.415 . . . . 2.91 111.332 178.287 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.4 m-85 -134.63 133.44 40.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.556 -0.535 . . . . 2.08 109.556 174.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.68 133.56 21.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.235 0.54 . . . . 0.35 112.203 -176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 37.0 t -93.48 99.84 12.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.335 -0.987 . . . . 0.37 108.335 169.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.22 164.49 22.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.552 -0.295 . . . . 2.05 111.238 -174.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 t 82.61 -45.59 0.15 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.374 1.069 . . . . 1.41 110.875 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.05 -17.89 19.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.72 110.545 174.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.99 31.6 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.503 -0.771 . . . . 0.62 113.045 174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 3.3 m-20 -92.29 108.69 20.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.012 0.406 . . . . 1.24 110.116 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -90.34 110.81 21.87 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.035 0.445 . . . . 2.22 110.81 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 85.9 m-85 -102.66 149.09 24.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.339 0.59 . . . . 0.53 111.847 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.67 ' HA ' HD11 ' A' ' 3' ' ' LEU . 3.7 mm? -102.85 8.64 39.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.298 -0.865 . . . . 1.91 109.18 172.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -129.87 150.67 51.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.021 -0.991 . . . . 2.03 109.806 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.4 -43.42 9.24 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 122.069 0.938 . . . . 0.45 108.549 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -53.69 -49.48 67.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 113.833 -1.53 . . . . 1.45 110.784 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HA ' ' HG2' ' A' ' 21' ' ' GLN . 39.6 t -74.75 -16.44 60.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.558 -0.746 . . . . 1.05 111.208 -177.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -76.07 -63.48 1.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.115 -0.698 . . . . 0.87 109.115 178.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -54.26 -44.11 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.477 -1.238 . . . . 0.26 111.713 -178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.529 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 2.1 pt20 -65.3 -28.03 69.03 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 121.111 0.482 . . . . 1.31 109.926 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 25' ' ' ILE . 69.9 t60 -75.27 -37.88 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 0.21 110.2 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.93 -19.63 24.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.321 -0.622 . . . . 0.3 109.321 174.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 95.3 mtt180 -75.06 -41.86 58.12 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.723 -0.671 . . . . 3.52 110.538 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.679 HG12 ' O ' ' A' ' 22' ' ' HIS . 12.5 pt -64.12 -12.95 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 120.271 -0.571 . . . . 0.35 110.978 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -88.06 -19.73 26.69 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.929 0.395 . . . . 0.65 110.669 175.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.6 m -92.51 -57.31 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.163 -0.471 . . . . 1.94 110.749 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.2 150.36 20.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.143 -0.48 . . . . 2.81 110.755 -177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.631 -0.699 . . . . 6.36 110.403 179.226 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.686 0.279 . . . . 5.41 110.64 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.578 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -126.94 47.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.219 0.533 . . . . 3.02 110.913 -175.228 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.47 -64.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.619 -0.719 . . . . 2.91 111.243 -175.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.598 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-85 -109.14 119.86 40.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.11 0.481 . . . . 2.08 110.918 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.3 130.39 54.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.688 -0.687 . . . . 0.35 111.676 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 43.8 t -79.62 119.86 23.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.435 -0.802 . . . . 0.37 109.388 173.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.77 150.57 48.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.811 -0.632 . . . . 2.05 111.984 -173.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m 81.19 -38.45 0.13 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.034 0.934 . . . . 1.41 112.584 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 -21.92 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.034 0.445 . . . . 0.72 111.245 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.97 41.2 23.36 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 115.565 -0.743 . . . . 0.62 112.759 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.3 m-20 -92.96 110.0 21.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.921 -0.4 . . . . 1.24 109.921 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG2' ' HB ' ' A' ' 2' ' ' ILE . 1.1 mptm? -100.03 107.54 19.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.997 0.427 . . . . 2.22 111.179 -177.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -101.82 154.07 19.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.53 110.681 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mp -86.04 -20.93 28.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.281 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.72 156.48 18.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.698 -0.683 . . . . 2.03 110.072 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . . . -90.91 -32.34 16.04 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 108.183 -1.043 . . . . 0.45 108.183 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -56.26 -49.61 73.69 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.853 -1.521 . . . . 1.45 110.807 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 m -78.73 -20.85 49.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 1.05 111.03 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.598 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.6 tm? -77.41 -60.42 2.37 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.926 -0.398 . . . . 0.87 109.926 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -55.36 -40.03 70.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.757 -0.656 . . . . 0.26 111.763 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.2 pt20 -68.4 -26.87 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.423 -0.511 . . . . 1.31 109.979 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.674 ' O ' HG12 ' A' ' 25' ' ' ILE . 63.1 t60 -75.63 -41.45 54.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.773 -0.648 . . . . 0.21 110.147 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -63.67 -19.4 24.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.254 0.55 . . . . 0.3 109.62 174.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 67.3 mtp180 -81.08 -40.21 24.49 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.416 -0.811 . . . . 3.52 110.992 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 22' ' ' HIS . 15.2 pt -60.39 -20.09 19.9 Favored 'Isoleucine or valine' 0 C--N 1.341 0.229 0 C-N-CA 120.219 -0.592 . . . . 0.35 111.143 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -72.27 -3.11 21.77 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.5 0.926 . . . . 0.65 113.5 -175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 24' ' ' ARG . 6.4 t -100.66 6.34 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.207 -0.597 . . . . 1.94 110.568 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.55 178.62 9.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.471 -0.331 . . . . 2.81 111.371 -177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.294 -0.632 . . . . 6.36 109.294 172.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.866 0.365 . . . . 5.41 110.65 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.24 113.32 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.254 -0.647 . . . . 3.02 109.254 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 1.9 tm? -81.59 -60.19 2.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.423 -0.584 . . . . 2.91 109.423 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.877 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 3.1 m-85 -148.8 124.92 10.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 2.08 109.963 175.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.59 147.66 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.467 . . . . 0.35 111.315 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.696 ' SG ' ' HD2' ' A' ' 22' ' ' HIS . 15.1 t -94.91 121.26 36.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.494 -0.775 . . . . 0.37 109.89 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -84.87 169.31 14.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.943 -0.571 . . . . 2.05 110.153 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m 62.68 34.75 14.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.63 0.582 . . . . 1.41 111.297 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 21.9 p -177.32 -45.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.909 -0.775 . . . . 0.72 108.909 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 91.23 69.31 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 115.494 -0.776 . . . . 0.62 112.774 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -128.15 139.35 52.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.264 0.532 . . . . 1.24 110.205 176.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -108.92 106.35 16.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.232 -0.44 . . . . 2.22 110.792 -173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD2' HD23 ' A' ' 19' ' ' LEU . 96.2 m-85 -101.25 152.03 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.149 0.5 . . . . 0.53 111.237 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -107.38 17.44 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 1.91 110.586 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.36 166.04 34.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.616 -0.72 . . . . 2.03 109.206 176.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.88 -34.02 13.99 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.714 0.769 . . . . 0.45 109.586 -173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.06 -48.69 73.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.271 -1.331 . . . . 1.45 111.578 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -77.45 -34.45 54.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.409 -0.36 . . . . 1.05 110.489 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.877 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 2.2 tm? -64.17 -59.95 3.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.75 0.309 . . . . 0.87 110.688 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.66 -41.18 76.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.527 . . . . 0.26 112.027 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 7.3 pt20 -70.06 -22.96 63.01 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.292 -0.563 . . . . 1.31 109.877 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.79 ' O ' HG12 ' A' ' 25' ' ' ILE . 59.6 t60 -78.04 -36.87 47.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.953 -0.567 . . . . 0.21 110.213 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -66.56 -23.09 30.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.751 -0.833 . . . . 0.3 108.751 172.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HB2' ' O ' ' A' ' 21' ' ' GLN . 99.3 mtt180 -70.13 -41.84 73.38 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.23 -0.895 . . . . 3.52 110.443 172.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.79 HG12 ' O ' ' A' ' 22' ' ' HIS . 4.1 pt -56.67 -26.08 22.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 120.046 -0.661 . . . . 0.35 110.669 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -68.19 -45.43 73.43 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.65 111.362 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -99.56 -44.12 6.26 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.443 0.535 . . . . 1.94 112.443 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.43 71.01 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.122 0.487 . . . . 2.81 111.666 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.275 -0.869 . . . . 6.36 109.45 176.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.8 m80 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.441 -0.207 . . . . 5.41 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 12' ' ' LYS . 67.7 mt 61.67 82.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.53 0.681 . . . . 3.02 110.463 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 tt -91.01 -53.38 4.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.477 -0.783 . . . . 2.91 110.772 -175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.668 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 90.1 m-85 -105.85 151.55 24.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.402 -0.363 . . . . 2.08 110.927 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.14 131.02 32.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.945 0.402 . . . . 0.35 111.358 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 11' ' ' ASP . 3.1 t -71.74 116.21 11.84 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.785 -0.643 . . . . 0.37 109.856 173.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -84.7 169.97 13.74 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.394 -0.366 . . . . 2.05 110.319 176.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.4 p 56.57 22.58 6.77 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.84 0.856 . . . . 1.41 112.431 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.81 -53.51 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.543 -0.298 . . . . 0.72 110.655 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.34 86.0 1.88 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.499 -0.857 . . . . 0.62 114.108 172.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 7.8 m-20 -137.41 124.77 21.91 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.62 -0.511 . . . . 1.24 109.62 174.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.662 ' HB3' HG23 ' A' ' 2' ' ' ILE . 4.0 mppt? -96.38 98.66 10.44 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.119 0.485 . . . . 2.22 111.707 -174.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.51 177.39 4.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.703 -0.681 . . . . 0.53 110.692 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.5 pt? -131.25 1.08 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.32 0.581 . . . . 1.91 109.978 171.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.9 148.98 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.397 -0.82 . . . . 2.03 108.966 174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 -44.67 8.47 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.92 0.867 . . . . 0.45 108.887 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -55.48 -46.44 76.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 113.764 -1.562 . . . . 1.45 110.931 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -76.49 -20.58 56.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.23 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.668 ' HG ' ' HB3' ' A' ' 4' ' ' TYR . 3.1 tm? -80.96 -58.63 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.87 110.071 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.65 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -56.72 -41.02 76.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.067 -0.515 . . . . 0.26 111.633 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 6.0 pt20 -65.78 -27.75 68.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.346 0.593 . . . . 1.31 109.637 177.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.789 ' O ' HG12 ' A' ' 25' ' ' ILE . 74.5 t60 -73.81 -41.15 62.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.488 -0.778 . . . . 0.21 110.071 -179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -70.67 -18.5 21.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 C-N-CA 119.965 -0.694 . . . . 0.3 109.873 175.165 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 97.6 mtt180 -70.02 -42.38 73.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.998 -0.546 . . . . 3.52 110.032 170.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.789 HG12 ' O ' ' A' ' 22' ' ' HIS . 9.0 pt -63.48 -14.19 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 119.424 -0.911 . . . . 0.35 110.551 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -89.94 -27.41 19.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.266 -0.425 . . . . 0.65 112.129 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -92.3 14.59 15.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.029 0.442 . . . . 1.94 111.729 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.31 87.25 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.159 -0.473 . . . . 2.81 110.379 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.175 -0.917 . . . . 6.36 110.806 -178.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_