data_2mp8_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 2mp8 _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 ' 1' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.519 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' THR . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ASP . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-O 121.236 0.541 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 50' ' ' LYS . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.638 ' O ' HG21 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m . . . . . 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.113 0.482 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.663 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.532 HG21 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HG21 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.606 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.247 0.928 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.531 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.62 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.531 ' O ' HG21 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 21' ' ' THR . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' LYS . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' ASP . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 41' ' ' ILE . 16.4 m . . . . . 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.251 1.184 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 HG22 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HZ3' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.529 ' O ' HG21 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 49' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.555 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 32' ' ' VAL . 23.7 m . . . . . 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.256 1.43 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 50' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 21' ' ' THR . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 17' ' ' ASP . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.252 1.192 0 CA-C-O 121.973 0.892 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.502 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.668 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 50' ' ' LYS . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG21 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 21' ' ' THR . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 17' ' ' ASP . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.185 0.517 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.599 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 53' ' ' ILE . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 49' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' THR . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' ASP . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.427 -1.612 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.447 HG21 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.447 ' O ' HG21 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 8.1 t-20 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.573 ' O ' HG21 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 121.154 0.502 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.639 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 50' ' ' LYS . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' HG23 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.578 ' O ' HG21 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 21' ' ' THR . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' ASP . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.589 ' O ' HG21 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 27.3 m . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.531 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG21 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.431 -1.384 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 49' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.511 HG21 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' O ' HG21 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.586 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG21 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.434 -1.253 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HA ' HG23 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.117 0.484 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.58 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 50' ' ' LYS . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.432 -1.358 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.607 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.625 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.601 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG21 ' A' ' 21' ' ' THR . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 17' ' ' ASP . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' HG21 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.434 -1.258 0 CA-C-O 121.256 0.551 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' A' ' 50' ' ' LYS . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.437 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 32' ' ' VAL . 23.3 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 121.321 0.581 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.58 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.617 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.519 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' THR . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 14' ' ' LYS . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 17' ' ' ASP . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.612 ' O ' HG21 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m -84.89 -22.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.02 43.68 32.74 Favored Glycine 0 CA--C 1.491 -1.442 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.408 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.13 153.31 20.3 Favored Glycine 0 C--N 1.284 -2.318 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.33 31.81 6.76 Favored Glycine 0 CA--C 1.489 -1.557 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.21 -46.68 64.04 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.36 -0.92 . . . . 0.0 110.313 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 50' ' ' LYS . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.635 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.638 ' O ' HG21 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m -89.39 -28.35 5.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 171.58 9.28 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.796 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.17 -6.41 79.57 Favored Glycine 0 C--N 1.296 -1.677 0 O-C-N 122.208 -0.584 . . . . 0.0 113.708 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.47 19.1 25.06 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-O 120.992 0.218 . . . . 0.0 113.219 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.3 -53.98 49.25 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 124.067 0.947 . . . . 0.0 111.769 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.663 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.532 HG21 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HG21 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.606 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -89.28 -29.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 160.22 4.45 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.861 -174.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.68 -4.94 69.51 Favored Glycine 0 C--N 1.302 -1.353 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.075 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.13 14.99 27.79 Favored Glycine 0 N--CA 1.472 1.09 0 CA-C-N 115.747 -0.227 . . . . 0.0 113.532 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.5 mt -51.44 -55.55 18.17 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.439 1.095 . . . . 0.0 112.509 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.531 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.62 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.531 ' O ' HG21 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 21' ' ' THR . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 14' ' ' LYS . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 17' ' ' ASP . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.415 HG22 HD12 ' A' ' 41' ' ' ILE . 16.4 m -100.42 -27.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.34 174.33 11.01 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 123.318 0.386 . . . . 0.0 112.361 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.44 -2.65 81.47 Favored Glycine 0 C--O 1.211 -1.33 0 N-CA-C 114.5 0.56 . . . . 0.0 114.5 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.03 13.7 20.99 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 123.095 0.379 . . . . 0.0 113.798 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -53.19 -53.5 49.67 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 124.413 1.085 . . . . 0.0 112.452 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 HG22 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.506 ' HZ3' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.529 ' O ' HG21 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.5 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m -97.02 -27.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.75 175.01 37.41 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.252 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.89 4.2 61.74 Favored Glycine 0 C--O 1.208 -1.506 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.08 19.41 30.92 Favored Glycine 0 N--CA 1.487 2.044 0 CA-C-N 117.353 0.577 . . . . 0.0 113.278 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.3 mt -48.8 -60.55 2.65 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.506 1.522 . . . . 0.0 111.718 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.544 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.434 HG21 ' O ' ' A' ' 49' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.485 HG21 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.555 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 HG21 ' HA2' ' A' ' 38' ' ' GLY . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 32' ' ' VAL . 23.7 m -93.23 -27.78 4.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.83 164.9 11.22 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 119.523 -1.322 . . . . 0.0 111.936 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA2' HG21 ' A' ' 33' ' ' THR . . . -55.81 117.6 9.15 Favored Glycine 0 N--CA 1.435 -1.433 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 -176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.09 16.48 53.16 Favored Glycine 0 CA--C 1.498 -1.024 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 167.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.56 -70.17 0.28 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 50' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.562 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 21' ' ' THR . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 17' ' ' ASP . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.26 -28.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.2 171.73 9.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.341 -0.457 . . . . 0.0 113.035 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.43 6.16 88.91 Favored Glycine 0 C--N 1.306 -1.122 0 N-CA-C 114.696 0.638 . . . . 0.0 114.696 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 14.87 21.74 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 122.939 0.304 . . . . 0.0 113.588 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -53.09 -57.88 8.93 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 124.784 1.234 . . . . 0.0 112.392 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG21 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.502 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.668 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.492 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 m -86.05 -28.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.36 -56.46 0.74 Allowed Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.599 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.32 163.76 9.82 Favored Glycine 0 C--N 1.284 -2.326 0 CA-C-N 115.128 -0.536 . . . . 0.0 112.418 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.99 -20.67 19.21 Favored Glycine 0 CA--C 1.503 -0.68 0 CA-C-O 121.301 0.39 . . . . 0.0 112.612 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.57 -71.0 0.61 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 50' ' ' LYS . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG21 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG22 ' A' ' 21' ' ' THR . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 17' ' ' ASP . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.601 ' O ' HG22 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 HG22 ' CA ' ' A' ' 38' ' ' GLY . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.65 -41.76 2.07 Favored Glycine 0 C--N 1.314 -0.668 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.247 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' CA ' HG22 ' A' ' 33' ' ' THR . . . 119.82 167.09 13.48 Favored Glycine 0 C--N 1.293 -1.855 0 CA-C-N 115.159 -0.521 . . . . 0.0 113.06 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -23.0 17.03 Favored Glycine 0 CA--C 1.503 -0.664 0 CA-C-O 121.328 0.404 . . . . 0.0 112.44 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.66 -75.56 0.46 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 114.874 -0.663 . . . . 0.0 111.128 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.599 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 53' ' ' ILE . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 49' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' THR . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 17' ' ' ASP . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -91.87 -7.51 10.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.41 -50.39 0.89 Allowed Glycine 0 C--N 1.299 -1.527 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.811 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.14 171.01 12.3 Favored Glycine 0 C--N 1.288 -2.098 0 CA-C-N 115.154 -0.523 . . . . 0.0 111.806 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 -13.09 28.17 Favored Glycine 0 C--N 1.316 -0.577 0 CA-C-O 121.478 0.488 . . . . 0.0 113.089 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -96.77 -80.09 0.44 Allowed 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.561 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 49' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.447 HG21 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' O ' HG21 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.483 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 8.1 t-20 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.573 ' O ' HG21 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m -86.38 -19.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 45.48 72.22 Favored Glycine 0 CA--C 1.497 -1.083 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.161 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.72 158.44 28.51 Favored Glycine 0 C--N 1.279 -2.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.68 34.86 4.73 Favored Glycine 0 C--N 1.304 -1.195 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.55 -56.89 5.47 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.942 -1.129 . . . . 0.0 110.978 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.639 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 50' ' ' LYS . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' HG23 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.578 ' O ' HG21 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m -85.9 -22.3 7.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.52 34.54 88.8 Favored Glycine 0 N--CA 1.465 0.595 0 CA-C-O 121.804 0.669 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.33 -34.82 0.4 Allowed Glycine 0 C--N 1.294 -1.769 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.937 -176.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.22 -9.92 37.8 Favored Glycine 0 N--CA 1.468 0.81 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.369 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt -47.89 -40.3 21.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.863 1.665 . . . . 0.0 112.551 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.428 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 21' ' ' THR . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' ASP . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.589 ' O ' HG21 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 27.3 m -89.49 -6.22 10.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.21 -54.57 0.8 Allowed Glycine 0 C--N 1.294 -1.753 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.242 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.75 165.12 10.16 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 121.457 -0.401 . . . . 0.0 112.641 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.81 -18.41 30.75 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.267 0.371 . . . . 0.0 112.803 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.07 -78.3 0.35 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.531 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG21 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 HG21 ' CA ' ' A' ' 38' ' ' GLY . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.68 -7.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.15 -51.75 0.71 Allowed Glycine 0 C--N 1.296 -1.694 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.798 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 33' ' ' THR . . . 130.28 158.31 9.31 Favored Glycine 0 C--N 1.29 -2.013 0 CA-C-N 115.169 -0.516 . . . . 0.0 112.403 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.14 -17.96 25.08 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.385 0.436 . . . . 0.0 112.397 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -86.85 -70.05 0.64 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.565 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 49' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.511 HG21 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' O ' HG21 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.586 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.563 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG21 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.427 HG22 ' HA2' ' A' ' 38' ' ' GLY . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.8 m -100.97 -16.39 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.35 -170.43 19.47 Favored Glycine 0 N--CA 1.425 -2.034 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 -173.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.427 ' HA2' HG22 ' A' ' 33' ' ' THR . . . -101.16 169.95 21.18 Favored Glycine 0 C--N 1.286 -2.206 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.299 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.52 -27.68 11.63 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.765 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.62 -82.77 0.18 Allowed 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.569 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.425 HG21 ' CA ' ' A' ' 38' ' ' GLY . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.84 -3.48 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.77 -57.27 0.66 Allowed Glycine 0 C--N 1.299 -1.502 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.805 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' CA ' HG21 ' A' ' 33' ' ' THR . . . 135.98 164.17 10.19 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.222 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.55 -21.67 17.03 Favored Glycine 0 CA--C 1.507 -0.436 0 CA-C-O 121.584 0.546 . . . . 0.0 111.83 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.19 -72.54 0.48 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.626 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 HG23 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' HA ' HG23 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.57 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.658 ' O ' HG22 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -86.26 -22.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 43.19 98.37 Favored Glycine 0 CA--C 1.498 -0.977 0 CA-C-O 121.557 0.531 . . . . 0.0 112.053 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.0 160.55 33.85 Favored Glycine 0 C--N 1.285 -2.297 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.68 35.14 4.68 Favored Glycine 0 CA--C 1.487 -1.692 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -73.68 -52.37 13.51 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.172 -1.014 . . . . 0.0 110.466 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.58 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 50' ' ' LYS . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.613 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' CA ' ' A' ' 38' ' ' GLY . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m -87.73 -7.02 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.06 -55.21 0.62 Allowed Glycine 0 C--N 1.303 -1.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.628 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 139.33 175.12 13.92 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 115.118 -0.541 . . . . 0.0 112.361 178.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.77 -7.25 42.83 Favored Glycine 0 C--N 1.313 -0.72 0 CA-C-O 120.916 0.175 . . . . 0.0 113.213 174.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -102.46 -80.07 0.52 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.607 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.625 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HA ' HG21 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.601 ' O ' HG21 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG21 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG21 ' A' ' 21' ' ' THR . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 17' ' ' ASP . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.423 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' HG21 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.624 HG21 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -90.32 -3.08 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.71 -45.71 1.58 Allowed Glycine 0 C--N 1.294 -1.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.827 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.32 174.31 14.05 Favored Glycine 0 C--N 1.294 -1.763 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.19 -20.09 23.28 Favored Glycine 0 C--N 1.317 -0.503 0 CA-C-O 121.554 0.53 . . . . 0.0 112.181 175.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.67 -74.5 0.54 Allowed 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.033 -0.584 . . . . 0.0 111.245 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.431 HG12 ' HA ' ' A' ' 50' ' ' LYS . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.437 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 HG23 ' CA ' ' A' ' 38' ' ' GLY . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 32' ' ' VAL . 23.3 m -88.75 -6.68 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.43 -43.28 1.7 Allowed Glycine 0 C--N 1.299 -1.486 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.286 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.491 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 119.7 170.44 14.45 Favored Glycine 0 C--N 1.29 -1.976 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.408 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.0 -19.19 17.93 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-O 121.411 0.45 . . . . 0.0 112.317 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.46 -75.6 0.48 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.92 -0.64 . . . . 0.0 110.391 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.58 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.617 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 18' ' ' ILE . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-O 121.236 0.541 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m . . . . . 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.113 0.482 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 36' ' ' VAL . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.677 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.619 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG22 HG23 ' A' ' 28' ' ' ILE . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 5' ' ' LEU . 90.5 mt . . . . . 0 C--O 1.247 0.928 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 35' ' ' VAL . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 18' ' ' ILE . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 41' ' ' ILE . 16.4 m . . . . . 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.251 1.184 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 HG21 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 28' ' ' ILE . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.625 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 41' ' ' ILE . 60.3 mt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 40' ' ' LEU . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.7 m . . . . . 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.256 1.43 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.412 HG13 HG11 ' A' ' 32' ' ' VAL . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.577 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.252 1.192 0 CA-C-O 121.973 0.892 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.2 m . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 32' ' ' VAL . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.185 0.517 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.602 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.427 -1.612 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.3 t30 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 121.154 0.502 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.678 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 32' ' ' VAL . 27.3 m . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.431 -1.384 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 HG11 ' A' ' 32' ' ' VAL . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 41' ' ' ILE . 14.8 m . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 36' ' ' VAL . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.434 -1.253 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG13 HG11 ' A' ' 32' ' ' VAL . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.601 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 HG22 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 5' ' ' LEU . 98.2 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.117 0.484 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' THR . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.432 -1.358 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.612 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.434 -1.258 0 CA-C-O 121.256 0.551 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.3 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 121.321 0.581 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 58' ' ' ALA . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 18' ' ' ILE . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m -84.89 -22.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.02 43.68 32.74 Favored Glycine 0 CA--C 1.491 -1.442 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.408 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.13 153.31 20.3 Favored Glycine 0 C--N 1.284 -2.318 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.33 31.81 6.76 Favored Glycine 0 CA--C 1.489 -1.557 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.21 -46.68 64.04 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.36 -0.92 . . . . 0.0 110.313 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m -89.39 -28.35 5.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 171.58 9.28 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.796 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.17 -6.41 79.57 Favored Glycine 0 C--N 1.296 -1.677 0 O-C-N 122.208 -0.584 . . . . 0.0 113.708 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.47 19.1 25.06 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-O 120.992 0.218 . . . . 0.0 113.219 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.3 -53.98 49.25 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 124.067 0.947 . . . . 0.0 111.769 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 36' ' ' VAL . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.677 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.619 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG22 HG23 ' A' ' 28' ' ' ILE . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -89.28 -29.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 160.22 4.45 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.861 -174.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.68 -4.94 69.51 Favored Glycine 0 C--N 1.302 -1.353 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.075 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.13 14.99 27.79 Favored Glycine 0 N--CA 1.472 1.09 0 CA-C-N 115.747 -0.227 . . . . 0.0 113.532 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 5' ' ' LEU . 90.5 mt -51.44 -55.55 18.17 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.439 1.095 . . . . 0.0 112.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 35' ' ' VAL . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 18' ' ' ILE . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 41' ' ' ILE . 16.4 m -100.42 -27.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.34 174.33 11.01 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 123.318 0.386 . . . . 0.0 112.361 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.44 -2.65 81.47 Favored Glycine 0 C--O 1.211 -1.33 0 N-CA-C 114.5 0.56 . . . . 0.0 114.5 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.03 13.7 20.99 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 123.095 0.379 . . . . 0.0 113.798 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -53.19 -53.5 49.67 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 124.413 1.085 . . . . 0.0 112.452 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 HG21 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 28' ' ' ILE . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.625 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m -97.02 -27.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.75 175.01 37.41 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.252 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.89 4.2 61.74 Favored Glycine 0 C--O 1.208 -1.506 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.08 19.41 30.92 Favored Glycine 0 N--CA 1.487 2.044 0 CA-C-N 117.353 0.577 . . . . 0.0 113.278 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 41' ' ' ILE . 60.3 mt -48.8 -60.55 2.65 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.506 1.522 . . . . 0.0 111.718 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 40' ' ' LEU . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HA2' ' A' ' 38' ' ' GLY . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.7 m -93.23 -27.78 4.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.83 164.9 11.22 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 119.523 -1.322 . . . . 0.0 111.936 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA2' HG23 ' A' ' 33' ' ' THR . . . -55.81 117.6 9.15 Favored Glycine 0 N--CA 1.435 -1.433 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 -176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.09 16.48 53.16 Favored Glycine 0 CA--C 1.498 -1.024 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 167.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.56 -70.17 0.28 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.412 HG13 HG11 ' A' ' 32' ' ' VAL . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.577 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.26 -28.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.2 171.73 9.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.341 -0.457 . . . . 0.0 113.035 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.43 6.16 88.91 Favored Glycine 0 C--N 1.306 -1.122 0 N-CA-C 114.696 0.638 . . . . 0.0 114.696 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 14.87 21.74 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 122.939 0.304 . . . . 0.0 113.588 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -53.09 -57.88 8.93 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 124.784 1.234 . . . . 0.0 112.392 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.412 HG23 ' CA ' ' A' ' 38' ' ' GLY . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.2 m -86.05 -28.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.36 -56.46 0.74 Allowed Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.599 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 137.32 163.76 9.82 Favored Glycine 0 C--N 1.284 -2.326 0 CA-C-N 115.128 -0.536 . . . . 0.0 112.418 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.99 -20.67 19.21 Favored Glycine 0 CA--C 1.503 -0.68 0 CA-C-O 121.301 0.39 . . . . 0.0 112.612 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.57 -71.0 0.61 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 32' ' ' VAL . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.464 HG23 ' CA ' ' A' ' 38' ' ' GLY . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.65 -41.76 2.07 Favored Glycine 0 C--N 1.314 -0.668 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.247 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 119.82 167.09 13.48 Favored Glycine 0 C--N 1.293 -1.855 0 CA-C-N 115.159 -0.521 . . . . 0.0 113.06 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -23.0 17.03 Favored Glycine 0 CA--C 1.503 -0.664 0 CA-C-O 121.328 0.404 . . . . 0.0 112.44 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.66 -75.56 0.46 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 114.874 -0.663 . . . . 0.0 111.128 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.602 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -91.87 -7.51 10.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.41 -50.39 0.89 Allowed Glycine 0 C--N 1.299 -1.527 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.811 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.14 171.01 12.3 Favored Glycine 0 C--N 1.288 -2.098 0 CA-C-N 115.154 -0.523 . . . . 0.0 111.806 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 -13.09 28.17 Favored Glycine 0 C--N 1.316 -0.577 0 CA-C-O 121.478 0.488 . . . . 0.0 113.089 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -96.77 -80.09 0.44 Allowed 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.3 t30 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m -86.38 -19.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 45.48 72.22 Favored Glycine 0 CA--C 1.497 -1.083 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.161 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.72 158.44 28.51 Favored Glycine 0 C--N 1.279 -2.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.68 34.86 4.73 Favored Glycine 0 C--N 1.304 -1.195 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.55 -56.89 5.47 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.942 -1.129 . . . . 0.0 110.978 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.678 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m -85.9 -22.3 7.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.52 34.54 88.8 Favored Glycine 0 N--CA 1.465 0.595 0 CA-C-O 121.804 0.669 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' H ' HG23 ' A' ' 36' ' ' VAL . . . -131.33 -34.82 0.4 Allowed Glycine 0 C--N 1.294 -1.769 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.937 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.22 -9.92 37.8 Favored Glycine 0 N--CA 1.468 0.81 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.369 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt -47.89 -40.3 21.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.863 1.665 . . . . 0.0 112.551 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 32' ' ' VAL . 27.3 m -89.49 -6.22 10.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.21 -54.57 0.8 Allowed Glycine 0 C--N 1.294 -1.753 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.242 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.75 165.12 10.16 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 121.457 -0.401 . . . . 0.0 112.641 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.81 -18.41 30.75 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.267 0.371 . . . . 0.0 112.803 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.07 -78.3 0.35 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' CA ' ' A' ' 38' ' ' GLY . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.68 -7.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.15 -51.75 0.71 Allowed Glycine 0 C--N 1.296 -1.694 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.798 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 130.28 158.31 9.31 Favored Glycine 0 C--N 1.29 -2.013 0 CA-C-N 115.169 -0.516 . . . . 0.0 112.403 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.14 -17.96 25.08 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.385 0.436 . . . . 0.0 112.397 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -86.85 -70.05 0.64 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 HG11 ' A' ' 32' ' ' VAL . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.489 HG23 ' HA2' ' A' ' 38' ' ' GLY . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 41' ' ' ILE . 14.8 m -100.97 -16.39 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.35 -170.43 19.47 Favored Glycine 0 N--CA 1.425 -2.034 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 -173.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA2' HG23 ' A' ' 33' ' ' THR . . . -101.16 169.95 21.18 Favored Glycine 0 C--N 1.286 -2.206 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.299 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.52 -27.68 11.63 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.765 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.62 -82.77 0.18 Allowed 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 36' ' ' VAL . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' CA ' ' A' ' 38' ' ' GLY . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.84 -3.48 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.77 -57.27 0.66 Allowed Glycine 0 C--N 1.299 -1.502 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.805 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 135.98 164.17 10.19 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.222 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.55 -21.67 17.03 Favored Glycine 0 CA--C 1.507 -0.436 0 CA-C-O 121.584 0.546 . . . . 0.0 111.83 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.19 -72.54 0.48 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG13 HG11 ' A' ' 32' ' ' VAL . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.601 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 HG22 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -86.26 -22.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 43.19 98.37 Favored Glycine 0 CA--C 1.498 -0.977 0 CA-C-O 121.557 0.531 . . . . 0.0 112.053 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.0 160.55 33.85 Favored Glycine 0 C--N 1.285 -2.297 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.68 35.14 4.68 Favored Glycine 0 CA--C 1.487 -1.692 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 5' ' ' LEU . 98.2 mt -73.68 -52.37 13.51 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.172 -1.014 . . . . 0.0 110.466 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' THR . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 38' ' ' GLY . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m -87.73 -7.02 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.06 -55.21 0.62 Allowed Glycine 0 C--N 1.303 -1.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.628 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 139.33 175.12 13.92 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 115.118 -0.541 . . . . 0.0 112.361 178.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.77 -7.25 42.83 Favored Glycine 0 C--N 1.313 -0.72 0 CA-C-O 120.916 0.175 . . . . 0.0 113.213 174.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -102.46 -80.07 0.52 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.612 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -90.32 -3.08 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.71 -45.71 1.58 Allowed Glycine 0 C--N 1.294 -1.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.827 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.32 174.31 14.05 Favored Glycine 0 C--N 1.294 -1.763 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.19 -20.09 23.28 Favored Glycine 0 C--N 1.317 -0.503 0 CA-C-O 121.554 0.53 . . . . 0.0 112.181 175.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.67 -74.5 0.54 Allowed 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.033 -0.584 . . . . 0.0 111.245 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' CA ' ' A' ' 38' ' ' GLY . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.3 m -88.75 -6.68 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.43 -43.28 1.7 Allowed Glycine 0 C--N 1.299 -1.486 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.286 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 119.7 170.44 14.45 Favored Glycine 0 C--N 1.29 -1.976 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.408 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.0 -19.19 17.93 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-O 121.411 0.45 . . . . 0.0 112.317 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.46 -75.6 0.48 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.92 -0.64 . . . . 0.0 110.391 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 58' ' ' ALA . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 18' ' ' ILE . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-O 121.236 0.541 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m . . . . . 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.113 0.482 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 36' ' ' VAL . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.677 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.619 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG22 HG23 ' A' ' 28' ' ' ILE . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 5' ' ' LEU . 90.5 mt . . . . . 0 C--O 1.247 0.928 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 35' ' ' VAL . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 18' ' ' ILE . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 41' ' ' ILE . 16.4 m . . . . . 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.251 1.184 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 HG21 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 28' ' ' ILE . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.625 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 41' ' ' ILE . 60.3 mt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 121.677 0.751 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 40' ' ' LEU . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.7 m . . . . . 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.256 1.43 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.412 HG13 HG11 ' A' ' 32' ' ' VAL . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.577 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.252 1.192 0 CA-C-O 121.973 0.892 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.2 m . . . . . 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 32' ' ' VAL . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 121.185 0.517 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.602 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.427 -1.612 0 CA-C-O 120.823 0.344 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 8.1 t-20 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 121.154 0.502 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.678 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 32' ' ' VAL . 27.3 m . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.44 -0.956 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 N--CA 1.431 -1.384 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 HG11 ' A' ' 32' ' ' VAL . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 41' ' ' ILE . 14.8 m . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 36' ' ' VAL . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.434 -1.253 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG13 HG11 ' A' ' 32' ' ' VAL . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.601 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 HG22 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 5' ' ' LEU . 98.2 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.117 0.484 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' THR . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 N--CA 1.432 -1.358 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.612 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.49 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.434 -1.258 0 CA-C-O 121.256 0.551 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.3 m . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 121.321 0.581 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 58' ' ' ALA . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 87.5 mt . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 7' ' ' ILE . 28.3 m -55.84 -44.46 77.99 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.327 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.76 73.71 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 123.912 0.758 . . . . 0.0 112.422 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.26 -32.89 24.19 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -92.3 -27.28 17.68 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.96 43.11 11.33 Favored Glycine 0 CA--C 1.498 -1.008 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.571 ' O ' HG23 ' A' ' 2' ' ' THR . 41.8 pt -116.86 174.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 CA-C-N 115.284 -0.458 . . . . 0.0 109.859 -177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.2 p -78.25 166.71 22.39 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -71.8 -29.64 64.67 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -59.8 -54.47 45.86 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.45 -41.32 98.65 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.8 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.7 -46.67 88.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.319 0.387 . . . . 0.0 111.28 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -63.59 -36.88 85.27 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.287 0.565 . . . . 0.0 109.593 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 25.2 mtpp -64.0 -44.52 92.41 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.771 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.1 t -58.09 -43.56 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.6 mm -53.64 -47.7 60.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.506 0 C-N-CA 123.279 0.632 . . . . 0.0 111.207 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.52 -41.09 93.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.107 0.479 . . . . 0.0 110.784 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.448 HD11 HG21 ' A' ' 35' ' ' VAL . 52.4 mt -70.54 -51.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 pt -62.98 -22.99 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-O 120.877 0.37 . . . . 0.0 111.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -82.63 -38.0 24.15 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.6 p -83.66 -43.92 15.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 150.25 45.83 Favored Glycine 0 N--CA 1.438 -1.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.184 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 m -102.45 -71.62 0.71 Allowed 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 133.65 54.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.957 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 29' ' ' ILE . 57.6 t -55.93 -48.04 79.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 O-C-N 123.746 0.653 . . . . 0.0 111.399 -176.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.38 74.0 Favored 'General case' 0 C--O 1.245 0.849 0 O-C-N 123.344 0.402 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -70.37 -42.08 72.25 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.934 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 32' ' ' VAL . 74.1 mt -66.06 -47.8 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.266 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 25' ' ' VAL . 84.4 mt -51.44 -46.15 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 123.472 0.483 . . . . 0.0 110.843 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.46 -39.98 94.84 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.85 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.38 -42.88 64.73 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.244 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.2 t -66.54 -42.39 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.2 m -62.19 -34.11 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.56 -30.75 66.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 18' ' ' ILE . 57.7 t -84.14 -44.87 18.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.928 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.9 m -84.89 -22.75 7.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 C-N-CA 119.351 -0.939 . . . . 0.0 111.008 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.02 43.68 32.74 Favored Glycine 0 CA--C 1.491 -1.442 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.408 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.13 153.31 20.3 Favored Glycine 0 C--N 1.284 -2.318 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.33 31.81 6.76 Favored Glycine 0 CA--C 1.489 -1.557 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.21 -46.68 64.04 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.36 -0.92 . . . . 0.0 110.313 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.1 96.44 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.695 0 CA-C-O 121.735 0.779 . . . . 0.0 109.119 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -97.14 -176.13 3.45 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-N 114.494 -1.23 . . . . 0.0 109.285 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.14 70.19 Favored 'General case' 0 CA--C 1.509 -0.599 0 C-N-CA 122.902 0.481 . . . . 0.0 111.017 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.48 93.68 Favored Glycine 0 N--CA 1.433 -1.545 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.41 -44.83 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.85 -52.73 51.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 O-C-N 123.465 0.478 . . . . 0.0 111.424 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.86 93.35 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.225 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 40.8 m -66.29 -50.3 64.14 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.493 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.35 88.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.319 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.7 ptpt -68.91 -28.41 66.65 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.452 -0.899 . . . . 0.0 111.203 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.1 t -75.39 -36.25 60.91 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.9 mt -66.81 -39.4 87.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.373 177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.4 pt -71.18 -23.53 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.707 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.79 -48.13 48.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.885 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.8 ptpp? -83.74 -55.99 3.96 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -92.18 -42.02 10.12 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.125 -173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.38 165.93 12.0 Favored Glycine 0 N--CA 1.434 -1.449 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.325 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -56.77 -45.53 82.04 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.742 1.217 . . . . 0.0 112.557 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -67.22 -27.96 67.67 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-O 121.382 0.611 . . . . 0.0 110.96 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -68.63 -49.49 58.79 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -65.24 -31.83 73.19 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.842 -177.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.8 80.28 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.331 0.394 . . . . 0.0 109.994 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.31 81.02 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.244 0.789 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.199 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.508 -0.663 0 CA-C-O 120.34 0.114 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 7' ' ' ILE . 20.2 m -56.47 -44.54 80.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.84 89.9 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.323 1.014 . . . . 0.0 112.788 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -87.81 -35.06 18.04 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -85.49 -26.43 26.28 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.523 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.92 40.26 21.85 Favored Glycine 0 CA--C 1.492 -1.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 2' ' ' THR . 36.5 pt -111.55 175.98 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 CA-C-N 114.702 -0.749 . . . . 0.0 110.238 -174.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 p -76.8 168.04 20.78 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 123.291 0.369 . . . . 0.0 110.161 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 t -69.84 -32.42 70.81 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 29.4 t80 -61.8 -53.39 56.55 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.528 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -57.28 -45.96 83.59 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.06 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.16 -41.41 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 123.361 0.413 . . . . 0.0 111.298 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -60.18 -41.7 93.44 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.597 0.713 . . . . 0.0 109.579 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 64.8 mmtt -65.51 -47.45 75.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.906 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.9 t -54.39 -46.75 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.68 0.612 . . . . 0.0 109.977 176.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 12' ' ' ALA . 37.3 mm -55.68 -46.97 79.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 O-C-N 123.972 0.795 . . . . 0.0 110.486 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.93 -38.82 92.51 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.43 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -71.32 -49.33 48.55 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.89 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 pt -63.63 -27.01 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 121.186 0.517 . . . . 0.0 110.648 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 28.3 t-20 -76.74 -37.87 55.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.69 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -81.31 -51.3 8.51 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.544 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.88 148.26 50.76 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.58 -0.736 . . . . 0.0 113.174 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -103.88 -71.45 0.73 Allowed 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 122.583 0.353 . . . . 0.0 111.497 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.85 135.02 51.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.345 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 29' ' ' ILE . 64.2 t -56.96 -45.81 83.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 O-C-N 123.562 0.539 . . . . 0.0 111.101 -177.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.73 71.69 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-O 121.597 0.713 . . . . 0.0 110.862 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -71.21 -43.27 67.7 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.635 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.643 ' O ' HG23 ' A' ' 32' ' ' VAL . 77.8 mt -63.79 -48.46 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.422 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 25' ' ' VAL . 71.3 mt -52.91 -46.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.523 0.515 . . . . 0.0 110.522 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.23 97.67 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -69.45 -44.16 71.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.414 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 28' ' ' ILE . 13.3 t -66.02 -40.27 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -177.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 m -67.94 -29.38 68.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.64 -29.05 61.12 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.024 0.44 . . . . 0.0 110.737 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.48 -53.03 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.699 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 32' ' ' VAL . 17.7 m -89.39 -28.35 5.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 C-N-CA 119.063 -1.055 . . . . 0.0 111.95 -175.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 171.58 9.28 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.85 -0.69 . . . . 0.0 111.796 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.17 -6.41 79.57 Favored Glycine 0 C--N 1.296 -1.677 0 O-C-N 122.208 -0.584 . . . . 0.0 113.708 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.47 19.1 25.06 Favored Glycine 0 C--O 1.213 -1.168 0 CA-C-O 120.992 0.218 . . . . 0.0 113.219 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.3 -53.98 49.25 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 124.067 0.947 . . . . 0.0 111.769 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 36' ' ' VAL . 3.9 mp -82.33 94.74 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 120.134 -0.627 . . . . 0.0 109.328 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 p -96.37 -176.45 3.64 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.927 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.83 -36.74 59.12 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.462 0.705 . . . . 0.0 111.646 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.29 -45.27 81.58 Favored Glycine 0 N--CA 1.44 -1.065 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.75 -41.35 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -57.33 -52.35 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.357 0.411 . . . . 0.0 110.013 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.07 -44.9 83.52 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.576 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 62.6 m -66.6 -49.03 67.65 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.005 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -44.41 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 122.855 0.462 . . . . 0.0 111.261 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -59.88 -38.1 81.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 0.0 110.514 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.677 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.3 t -69.17 -46.78 66.7 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.948 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.2 mt -63.74 -38.46 91.18 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 123.303 0.377 . . . . 0.0 111.201 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.8 pt -71.09 -27.15 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.721 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.33 -32.89 55.49 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.21 -0.996 . . . . 0.0 112.44 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 51' ' ' SER . 3.8 ptpp? -94.35 -53.86 3.76 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -92.86 -43.72 8.84 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.387 -174.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.58 168.57 12.51 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.557 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.73 -28.29 69.79 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.596 1.158 . . . . 0.0 111.286 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -71.36 -41.76 69.32 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.923 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -64.75 -47.54 77.82 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.567 0.699 . . . . 0.0 109.592 -178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.374 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.6 90.53 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.02 83.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.011 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.5 t90 . . . . . 0 C--O 1.242 0.708 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.466 -178.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 7' ' ' ILE . 74.8 m -54.23 -47.84 71.75 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.03 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.32 79.68 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 124.373 1.046 . . . . 0.0 112.839 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -85.16 -33.2 22.37 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.1 mt -90.83 -27.88 18.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.84 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.06 16.64 Favored Glycine 0 CA--C 1.495 -1.204 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.357 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 2' ' ' THR . 40.7 pt -112.28 178.01 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -81.14 156.92 25.5 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 m -72.96 -15.42 61.55 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 21.4 t80 -64.9 -52.12 58.21 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.15 -41.67 97.17 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.158 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.57 -46.09 84.4 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 123.63 0.581 . . . . 0.0 110.816 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -56.36 -42.34 77.65 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 123.73 0.812 . . . . 0.0 110.296 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 60.6 mmtt -63.52 -48.38 77.81 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.299 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.72 -46.69 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 123.935 0.772 . . . . 0.0 109.71 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.619 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.4 mm -53.89 -50.74 50.9 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.557 0 O-C-N 124.089 0.868 . . . . 0.0 111.553 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -62.52 -39.34 93.24 Favored 'General case' 0 C--O 1.257 1.451 0 CA-C-O 121.528 0.68 . . . . 0.0 111.031 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG22 HG23 ' A' ' 28' ' ' ILE . 70.5 mt -66.38 -55.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.261 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.08 -25.2 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 120.569 0.223 . . . . 0.0 111.412 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 21.7 t-20 -68.16 -35.73 78.52 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.82 -176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.1 p -56.53 -46.73 80.46 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.943 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.9 41.64 97.86 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.399 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.3 m -93.56 -88.72 0.22 Allowed 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.761 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.68 120.24 33.69 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.33 -49.88 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 123.184 0.303 . . . . 0.0 111.339 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.36 71.01 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.285 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 90.7 m -74.54 -41.43 60.61 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 mt -60.32 -53.43 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.88 -41.85 50.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 123.736 0.647 . . . . 0.0 110.31 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.23 -39.27 86.19 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.314 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 27' ' ' THR . 89.6 mt -74.71 -40.83 61.1 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.362 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.4 t -66.41 -41.98 89.69 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.6 m -64.37 -30.37 71.41 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.2 0.524 . . . . 0.0 110.464 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 -25.01 58.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.91 0.386 . . . . 0.0 111.562 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.8 t -88.56 -52.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 120.733 0.302 . . . . 0.0 111.25 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.6 m -89.28 -29.65 5.17 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 C-N-CA 118.513 -1.275 . . . . 0.0 112.572 -173.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 160.22 4.45 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.861 -174.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.68 -4.94 69.51 Favored Glycine 0 C--N 1.302 -1.353 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.075 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.13 14.99 27.79 Favored Glycine 0 N--CA 1.472 1.09 0 CA-C-N 115.747 -0.227 . . . . 0.0 113.532 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HB3' HD22 ' A' ' 5' ' ' LEU . 90.5 mt -51.44 -55.55 18.17 Favored 'General case' 0 C--O 1.247 0.928 0 C-N-CA 124.439 1.095 . . . . 0.0 112.509 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.7 96.25 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-O 121.657 0.741 . . . . 0.0 110.205 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 19.0 p -96.88 -179.28 4.51 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.009 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.06 -36.12 60.27 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.609 0.764 . . . . 0.0 111.592 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.75 -37.25 75.96 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.826 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -73.44 -41.66 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 42' ' ' THR . 86.0 t -57.3 -47.7 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.556 0.535 . . . . 0.0 109.633 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.58 -48.13 82.87 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.959 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 66.9 m -63.37 -49.07 75.32 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.977 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.09 96.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.63 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.42 -36.33 77.91 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.043 0.449 . . . . 0.0 111.178 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.639 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 16.5 m -73.13 -40.55 64.83 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.169 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.0 mt -66.42 -41.41 89.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.537 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 30.0 pt -70.8 -22.88 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 120.943 0.402 . . . . 0.0 110.89 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -72.53 -48.16 42.59 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.878 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.8 ptpt -88.49 -56.2 3.41 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -88.85 -43.4 11.24 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.504 -173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.71 170.82 12.97 Favored Glycine 0 C--N 1.308 -0.979 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.488 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -59.45 -44.59 92.92 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 124.358 1.063 . . . . 0.0 112.286 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.19 -28.9 68.47 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -67.91 -50.02 58.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.92 79.31 Favored 'General case' 0 C--O 1.2 -1.534 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.968 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.48 77.94 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 120.976 0.417 . . . . 0.0 110.218 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.74 67.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.129 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.9 t90 . . . . . 0 C--O 1.241 0.653 0 C-N-CA 123.451 0.7 . . . . 0.0 111.111 -179.114 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 61' ' ' ALA . 84.4 mt . . . . . 0 CA--C 1.511 -0.521 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 7' ' ' ILE . 43.0 m -55.94 -47.56 77.35 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.868 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.64 94.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.356 1.035 . . . . 0.0 112.663 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -90.4 -37.23 14.11 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 mt -85.59 -26.89 25.84 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.373 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.91 13.26 Favored Glycine 0 CA--C 1.492 -1.379 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 2' ' ' THR . 37.6 pt -112.33 177.73 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 CA-C-N 115.092 -0.554 . . . . 0.0 110.486 -175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 p -74.66 162.57 28.61 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.256 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -72.69 -28.45 62.69 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 37.9 t80 -62.4 -55.91 23.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.513 177.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.48 -39.1 89.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.203 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -62.18 -42.54 99.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.387 0.43 . . . . 0.0 111.01 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 16' ' ' ILE . 21.0 ttmm -65.22 -37.19 86.51 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 23.9 mtpp -65.09 -42.87 93.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.433 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.1 t -56.55 -43.4 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 O-C-N 123.702 0.626 . . . . 0.0 109.521 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 33.2 mm -53.74 -51.04 47.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 C-N-CA 123.625 0.77 . . . . 0.0 111.489 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -58.89 -38.66 79.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.025 0.441 . . . . 0.0 110.94 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 35' ' ' VAL . 57.8 mt -73.16 -51.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.767 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.4 pt -63.8 -28.06 44.17 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.6 -37.58 42.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -77.21 -53.25 7.97 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.573 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.61 149.73 48.44 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.658 -0.701 . . . . 0.0 114.274 -174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.1 m -102.93 -71.74 0.72 Allowed 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.073 -0.563 . . . . 0.0 111.321 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.64 131.2 45.16 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.525 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 29' ' ' ILE . 63.6 t -55.51 -48.06 77.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 O-C-N 123.855 0.722 . . . . 0.0 111.439 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.33 71.48 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 120.897 0.38 . . . . 0.0 111.456 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.9 m -72.05 -42.88 65.74 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.4 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.307 178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 25' ' ' VAL . 37.5 mm -45.95 -50.02 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.61 0.764 . . . . 0.0 111.964 177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.51 96.79 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.659 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -71.14 -47.06 60.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.29 -178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.2 t -64.91 -41.02 91.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.217 -177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.6 m -69.77 -27.34 64.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.902 0.382 . . . . 0.0 110.762 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.75 -31.69 66.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.515 0.674 . . . . 0.0 109.909 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 18' ' ' ILE . 83.9 t -86.48 -44.53 16.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.665 -175.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 41' ' ' ILE . 16.4 m -100.42 -27.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 119.519 -0.872 . . . . 0.0 112.827 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.34 174.33 11.01 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 123.318 0.386 . . . . 0.0 112.361 -175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.44 -2.65 81.47 Favored Glycine 0 C--O 1.211 -1.33 0 N-CA-C 114.5 0.56 . . . . 0.0 114.5 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.03 13.7 20.99 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 123.095 0.379 . . . . 0.0 113.798 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.8 mt -53.19 -53.5 49.67 Favored 'General case' 0 C--O 1.251 1.184 0 C-N-CA 124.413 1.085 . . . . 0.0 112.452 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD13 HG21 ' A' ' 36' ' ' VAL . 3.8 mp -76.06 101.8 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.751 0 CA-C-O 121.695 0.76 . . . . 0.0 109.199 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -95.68 176.49 6.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 114.634 -1.167 . . . . 0.0 109.547 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.85 68.62 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-O 121.1 0.476 . . . . 0.0 109.993 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.9 -43.75 98.45 Favored Glycine 0 N--CA 1.428 -1.85 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.513 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.5 mm -68.27 -43.5 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.84 0.32 . . . . 0.0 110.353 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.7 t -56.23 -51.17 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.442 0.464 . . . . 0.0 110.795 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.1 83.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.523 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.492 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.0 m -67.77 -47.57 68.81 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.938 0.399 . . . . 0.0 110.027 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.56 92.17 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.8 -42.37 68.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.004 0.522 . . . . 0.0 110.95 174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.7 m -72.65 -42.37 64.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.447 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 48' ' ' THR . 47.6 mt -66.58 -38.48 87.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.805 -0.179 . . . . 0.0 110.866 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 58' ' ' ALA . 31.3 pt -72.18 -27.66 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.056 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -75.01 -31.76 61.47 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.172 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -100.66 -55.17 2.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -89.54 -43.68 10.64 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.09 0.471 . . . . 0.0 111.085 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.42 170.15 12.81 Favored Glycine 0 C--N 1.304 -1.233 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.084 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.48 -36.99 82.22 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 123.982 0.913 . . . . 0.0 111.547 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 4.4 ttmp? -65.18 -36.31 83.82 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.93 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -67.14 -48.89 66.71 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.964 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' O ' ' HG ' ' A' ' 1' ' ' LEU . . . -63.62 -36.84 85.16 Favored 'General case' 0 C--O 1.193 -1.87 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.458 -177.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.08 91.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.907 0.385 . . . . 0.0 110.275 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.63 95.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.09 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.6 t90 . . . . . 0 C--O 1.242 0.673 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.536 178.636 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 120.635 0.255 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 7' ' ' ILE . 42.5 m -55.78 -46.16 77.99 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.21 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.03 74.57 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.368 1.043 . . . . 0.0 112.376 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -83.69 -39.98 19.48 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 mt -80.54 -27.68 37.52 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.167 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.91 41.4 14.63 Favored Glycine 0 CA--C 1.497 -1.039 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' O ' HG23 ' A' ' 2' ' ' THR . 40.0 pt -113.01 177.87 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.71 -0.745 . . . . 0.0 109.503 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.5 p -78.57 168.26 20.04 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -75.85 -24.19 55.74 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -65.72 -50.82 63.47 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.54 -43.75 96.86 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.761 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.14 -39.87 87.81 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.429 0.456 . . . . 0.0 110.919 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -61.92 -41.69 98.22 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -64.71 -48.24 75.36 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.597 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -53.45 -47.22 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 123.712 0.633 . . . . 0.0 110.274 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 20' ' ' ASN . 41.7 mm -57.06 -48.2 82.3 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.506 0 O-C-N 124.022 0.827 . . . . 0.0 110.779 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.18 -47.9 77.42 Favored 'General case' 0 C--O 1.259 1.565 0 CA-C-O 121.478 0.656 . . . . 0.0 111.233 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.09 -55.59 19.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.457 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.49 -26.04 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.517 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 10.3 t-20 -69.34 -36.07 76.53 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 122.703 0.401 . . . . 0.0 110.713 -176.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.5 p -63.37 -46.93 84.23 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.608 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . 53.65 65.29 3.53 Favored Glycine 0 C--N 1.334 0.419 0 CA-C-N 114.838 -1.074 . . . . 0.0 115.765 171.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -99.13 -86.34 0.37 Allowed 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 117.149 0.475 . . . . 0.0 110.697 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -93.87 120.72 34.51 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 28' ' ' ILE . 60.6 t -56.53 -46.85 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-O 120.766 0.317 . . . . 0.0 111.458 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.64 74.97 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.142 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.7 m -72.58 -37.72 68.08 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.566 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.625 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.0 mt -58.83 -51.65 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.7 -45.0 48.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 O-C-N 124.097 0.873 . . . . 0.0 110.192 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.42 -36.19 80.77 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.427 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 27' ' ' THR . 88.9 mt -75.33 -39.92 58.91 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.153 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.5 t -67.05 -41.86 87.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -65.45 -23.44 66.93 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.313 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.07 -31.7 61.31 Favored 'General case' 0 C--N 1.316 -0.886 0 O-C-N 121.564 -0.71 . . . . 0.0 110.199 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -85.45 -47.14 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.294 -178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 m -97.02 -27.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.633 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.75 175.01 37.41 Favored Glycine 0 N--CA 1.44 -1.067 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.252 -177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.89 4.2 61.74 Favored Glycine 0 C--O 1.208 -1.506 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.08 19.41 30.92 Favored Glycine 0 N--CA 1.487 2.044 0 CA-C-N 117.353 0.577 . . . . 0.0 113.278 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 41' ' ' ILE . 60.3 mt -48.8 -60.55 2.65 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 125.506 1.522 . . . . 0.0 111.718 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 40' ' ' LEU . 3.8 mp -81.85 98.54 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.731 0 CA-C-O 121.662 0.744 . . . . 0.0 109.521 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.6 p -96.12 -175.62 3.43 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 114.452 -1.249 . . . . 0.0 109.624 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.07 -37.52 71.98 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 122.559 0.344 . . . . 0.0 110.376 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.26 98.09 Favored Glycine 0 N--CA 1.434 -1.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.525 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.84 -43.11 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.055 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 42' ' ' THR . 83.5 t -56.36 -50.06 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 123.429 0.456 . . . . 0.0 110.612 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.78 98.27 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 52.3 m -65.86 -50.84 63.12 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.675 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.7 -44.9 90.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.906 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -63.87 -32.96 74.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.23 0.538 . . . . 0.0 111.616 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 45.4 m -73.32 -40.33 64.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.117 178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -64.0 -37.98 89.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.602 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.7 pt -70.52 -29.57 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.436 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -74.34 -34.63 63.46 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.7 ptpt -94.9 -54.29 3.52 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.43 -36.47 13.77 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.106 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.49 164.01 11.73 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.481 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.03 -35.2 79.91 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 123.375 0.67 . . . . 0.0 111.093 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -67.89 -33.79 75.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.243 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -67.14 -46.16 74.91 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.53 -35.86 78.03 Favored 'General case' 0 C--O 1.199 -1.564 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.633 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.4 88.09 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 121.272 0.558 . . . . 0.0 109.649 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.83 83.62 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.032 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.9 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.894 -179.714 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 CA--C 1.502 -0.884 0 CA-C-O 121.148 0.499 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.3 m -56.92 -48.09 79.06 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.82 96.46 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.338 1.024 . . . . 0.0 112.667 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.96 -41.19 14.11 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.08 -27.69 26.12 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.43 46.54 7.97 Favored Glycine 0 N--CA 1.434 -1.473 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 2' ' ' THR . 43.9 pt -117.13 178.46 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 115.3 -0.45 . . . . 0.0 110.727 -176.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 p -79.09 150.83 31.7 Favored 'General case' 0 N--CA 1.421 -1.924 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -69.88 -21.53 63.32 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.8 -56.57 19.69 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.91 -40.77 98.6 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.596 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -57.55 -47.76 81.15 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 123.885 0.741 . . . . 0.0 110.967 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.45 -38.05 88.27 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 121.346 0.593 . . . . 0.0 110.13 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -64.16 -44.24 92.69 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.21 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.8 t -56.01 -46.53 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 12' ' ' ALA . 43.0 mm -53.79 -44.95 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 124.121 0.888 . . . . 0.0 111.12 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.44 -46.31 90.64 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.287 0.565 . . . . 0.0 110.486 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.77 -49.08 60.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.094 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.96 -28.37 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 120.791 0.329 . . . . 0.0 111.442 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -83.26 -34.3 25.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.873 0.368 . . . . 0.0 110.081 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 p -80.1 -44.98 19.04 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.49 165.02 50.38 Favored Glycine 0 N--CA 1.439 -1.135 0 CA-C-N 115.649 -0.705 . . . . 0.0 114.626 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -109.55 -77.17 0.6 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 122.948 0.499 . . . . 0.0 111.593 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.52 132.52 47.11 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.352 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 29' ' ' ILE . 80.3 t -55.41 -46.8 78.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 O-C-N 123.945 0.778 . . . . 0.0 110.714 -178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.58 -36.67 72.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.092 0.473 . . . . 0.0 111.577 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -70.46 -42.22 71.75 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.2 mt -64.6 -47.66 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.179 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.479 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 25' ' ' VAL . 74.3 mt -53.52 -44.8 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.492 0.495 . . . . 0.0 110.728 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.94 -38.86 92.62 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.411 0.444 . . . . 0.0 110.755 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.74 -47.27 60.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.9 t -65.97 -39.09 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.846 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' HA2' ' A' ' 38' ' ' GLY . 95.4 m -62.83 -32.41 73.61 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 120.902 0.382 . . . . 0.0 111.257 178.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.53 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.368 0.604 . . . . 0.0 110.452 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -88.21 -51.04 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.474 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.7 m -93.23 -27.78 4.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.83 164.9 11.22 Favored Glycine 0 N--CA 1.424 -2.101 0 C-N-CA 119.523 -1.322 . . . . 0.0 111.936 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA2' HG23 ' A' ' 33' ' ' THR . . . -55.81 117.6 9.15 Favored Glycine 0 N--CA 1.435 -1.433 0 N-CA-C 115.756 1.063 . . . . 0.0 115.756 -176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.09 16.48 53.16 Favored Glycine 0 CA--C 1.498 -1.024 0 N-CA-C 115.699 1.04 . . . . 0.0 115.699 167.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -68.56 -70.17 0.28 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 122.049 0.928 . . . . 0.0 109.987 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.412 HG13 HG11 ' A' ' 32' ' ' VAL . 38.5 mm -83.28 100.1 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.9 p -95.78 178.25 5.51 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.192 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.81 -38.18 67.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 123.356 0.662 . . . . 0.0 111.061 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.96 -42.1 98.41 Favored Glycine 0 N--CA 1.432 -1.592 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.82 -40.07 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.241 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.038 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 42' ' ' THR . 99.5 t -57.94 -54.39 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 O-C-N 123.249 0.343 . . . . 0.0 110.378 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.56 93.61 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 123.221 0.326 . . . . 0.0 111.436 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.577 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 79.9 m -65.32 -50.81 64.23 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.35 -43.05 92.86 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.681 0.392 . . . . 0.0 110.827 -179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.9 mtpm? -62.39 -36.09 81.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.377 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.573 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 51.1 m -71.88 -37.96 70.07 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.379 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.6 mt -67.46 -37.35 82.8 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.591 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.531 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.3 pt -71.96 -25.14 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.193 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' LYS . 59.6 mtpt -67.38 -47.76 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.201 0.524 . . . . 0.0 110.117 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -90.8 -59.04 2.28 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -86.06 -41.15 15.04 Favored 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.109 0.48 . . . . 0.0 110.627 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.74 169.09 12.6 Favored Glycine 0 N--CA 1.427 -1.917 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.977 176.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -65.4 -37.24 86.39 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 124.272 1.029 . . . . 0.0 111.727 -176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -72.84 -30.11 63.75 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.931 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -66.99 -48.77 67.45 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.39 0.614 . . . . 0.0 109.423 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.88 74.74 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.505 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.13 96.96 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 120.9 0.381 . . . . 0.0 110.034 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -44.44 75.02 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.013 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.246 0.895 0 C-N-CA 123.587 0.755 . . . . 0.0 111.098 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.506 -0.734 0 CA-C-O 121.518 0.675 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 7' ' ' ILE . 94.5 m -57.31 -46.92 82.73 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.142 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.12 83.76 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 123.939 0.774 . . . . 0.0 112.591 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -84.64 -31.84 23.98 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.17 -27.53 16.84 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.3 43.41 10.6 Favored Glycine 0 CA--C 1.494 -1.265 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . 41.9 pt -113.05 178.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 114.999 -0.601 . . . . 0.0 110.586 -176.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.4 p -84.63 157.87 21.03 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 123.447 0.467 . . . . 0.0 109.875 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 m -64.07 -25.43 68.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 120.856 0.36 . . . . 0.0 110.048 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.517 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 14.3 t80 -59.44 -61.4 2.66 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.57 -39.07 89.82 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.318 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -48.2 81.63 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 123.385 0.428 . . . . 0.0 111.11 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.44 -36.8 85.34 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 121.135 0.493 . . . . 0.0 110.213 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 62.6 mmtt -59.54 -50.4 74.07 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.976 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' ALA . 66.6 t -54.71 -47.68 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 124.042 0.839 . . . . 0.0 109.586 175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.5 mm -55.09 -45.58 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 123.982 0.801 . . . . 0.0 111.479 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -65.22 -41.29 94.57 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -70.59 -48.46 58.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.118 -177.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 pt -62.27 -31.05 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-O 120.659 0.266 . . . . 0.0 111.114 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -77.8 -34.61 52.05 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.5 p -81.92 -48.93 10.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.763 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.408 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -67.91 146.41 46.52 Favored Glycine 0 N--CA 1.435 -1.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 113.952 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.6 m -94.12 -76.17 0.49 Allowed 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 123.338 0.655 . . . . 0.0 111.837 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.44 130.47 43.15 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.709 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.2 t -55.52 -47.16 78.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 123.792 0.683 . . . . 0.0 111.346 -177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.092 0.472 . . . . 0.0 111.195 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.4 m -70.76 -39.96 72.93 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.507 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 32' ' ' VAL . 79.7 mt -65.22 -47.16 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.197 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.7 mt -52.84 -46.09 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 O-C-N 123.429 0.456 . . . . 0.0 110.794 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.53 -36.54 84.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.955 0.407 . . . . 0.0 110.895 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.72 -47.27 48.45 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.0 t -67.12 -39.99 84.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.475 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 36.0 m -67.05 -29.15 68.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.666 0.269 . . . . 0.0 110.487 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.71 -24.98 58.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.036 0.446 . . . . 0.0 110.706 176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.7 t -90.36 -52.04 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.785 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.5 m -91.26 -28.31 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 120.095 -0.642 . . . . 0.0 112.45 -175.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.2 171.73 9.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 121.341 -0.457 . . . . 0.0 113.035 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.43 6.16 88.91 Favored Glycine 0 C--N 1.306 -1.122 0 N-CA-C 114.696 0.638 . . . . 0.0 114.696 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 14.87 21.74 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 122.939 0.304 . . . . 0.0 113.588 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -53.09 -57.88 8.93 Favored 'General case' 0 C--O 1.252 1.192 0 C-N-CA 124.784 1.234 . . . . 0.0 112.392 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 32' ' ' VAL . 36.8 mm -79.12 103.45 6.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.004 -176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' VAL . 42.7 p -95.46 177.99 5.64 Favored 'General case' 0 C--N 1.295 -1.803 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.451 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.61 -34.36 74.12 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.47 -41.68 96.19 Favored Glycine 0 N--CA 1.426 -2.027 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.193 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.94 -43.77 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 C-N-CA 120.225 -0.59 . . . . 0.0 109.803 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 42' ' ' THR . 91.6 t -54.77 -51.24 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.407 0.442 . . . . 0.0 110.513 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.2 89.31 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.668 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 60.6 m -64.79 -49.05 72.22 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.745 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.14 -48.62 79.67 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 122.902 0.481 . . . . 0.0 112.116 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.6 ptpt -71.21 -20.01 62.32 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.068 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.68 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.0 t -71.41 -44.5 64.78 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.3 mt -64.36 -33.93 77.0 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.534 HG12 ' HA ' ' A' ' 50' ' ' LYS . 18.2 pt -73.77 -28.63 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.118 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -73.03 -35.24 66.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 51' ' ' SER . 4.3 ptpp? -93.19 -54.02 3.88 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -96.14 -33.36 12.09 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.865 -173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.25 163.05 11.34 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.365 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.44 -38.18 90.11 Favored 'General case' 0 C--N 1.308 -1.221 0 C-N-CA 123.767 0.827 . . . . 0.0 110.87 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -69.0 -32.03 71.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.882 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -65.22 -49.29 70.28 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.21 73.5 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.232 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.31 86.8 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.33 83.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.414 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 82.5 t90 . . . . . 0 C--O 1.243 0.745 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.389 178.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.11 0.481 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 7' ' ' ILE . 31.2 m -56.99 -46.23 82.39 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.343 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.51 78.55 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.24 0.962 . . . . 0.0 112.894 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -89.01 -33.81 17.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.07 -27.19 17.11 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.461 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.0 38.14 11.76 Favored Glycine 0 CA--C 1.494 -1.243 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' THR . 48.8 pt -112.54 172.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 p -78.25 165.66 23.63 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-O 121.027 0.442 . . . . 0.0 110.726 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -73.43 -23.77 60.16 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -65.32 -54.52 27.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.98 -39.75 93.27 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.515 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.05 -43.96 98.1 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.277 0.361 . . . . 0.0 110.559 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -63.85 -37.39 87.22 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.694 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.9 mmpt? -59.82 -52.35 65.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.033 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.82 -47.21 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 123.736 0.647 . . . . 0.0 110.488 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.8 mm -54.15 -44.72 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 O-C-N 123.752 0.658 . . . . 0.0 111.499 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.23 -40.93 94.74 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.009 0.433 . . . . 0.0 110.771 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -71.63 -49.15 48.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.035 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 pt -61.6 -30.57 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-O 121.038 0.446 . . . . 0.0 111.194 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -78.66 -37.64 41.45 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.183 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -76.61 -46.85 24.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.882 0.372 . . . . 0.0 111.642 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.24 145.59 37.93 Favored Glycine 0 N--CA 1.438 -1.17 0 CA-C-N 115.879 -0.601 . . . . 0.0 113.665 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -93.65 -73.18 0.58 Allowed 'General case' 0 C--N 1.298 -1.633 0 C-N-CA 122.682 0.393 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.36 135.95 52.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.607 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.1 t -56.56 -46.33 82.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 C-N-CA 123.35 0.66 . . . . 0.0 111.073 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.83 -33.69 72.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.726 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 m -69.61 -42.58 74.18 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.7 mt -66.28 -48.61 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.517 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 25' ' ' VAL . 82.9 mt -52.57 -44.82 46.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.407 0.442 . . . . 0.0 110.605 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.14 93.72 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.082 0.468 . . . . 0.0 110.993 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.32 -45.61 46.25 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.134 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 28' ' ' ILE . 8.5 t -66.04 -39.23 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.412 HG23 ' CA ' ' A' ' 38' ' ' GLY . 86.6 m -64.74 -33.84 76.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.105 0.478 . . . . 0.0 110.297 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.75 -22.17 62.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.78 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.9 t -94.57 -53.23 8.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.2 m -86.05 -28.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.656 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.36 -56.46 0.74 Allowed Glycine 0 CA--C 1.493 -1.3 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.599 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 137.32 163.76 9.82 Favored Glycine 0 C--N 1.284 -2.326 0 CA-C-N 115.128 -0.536 . . . . 0.0 112.418 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.99 -20.67 19.21 Favored Glycine 0 CA--C 1.503 -0.68 0 CA-C-O 121.301 0.39 . . . . 0.0 112.612 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.57 -71.0 0.61 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.654 0.74 . . . . 0.0 110.149 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 32' ' ' VAL . 24.9 mm -89.31 94.37 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.076 0 CA-C-N 115.505 -0.77 . . . . 0.0 108.97 -176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.3 p -96.02 -177.08 3.89 Favored 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.707 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.84 -39.94 72.15 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.032 0.444 . . . . 0.0 110.373 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.91 -36.75 93.45 Favored Glycine 0 N--CA 1.429 -1.777 0 CA-C-N 115.022 -0.99 . . . . 0.0 112.244 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.43 -42.05 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.934 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -57.62 -51.81 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.34 89.69 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.296 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -64.19 -48.52 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.975 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.73 98.74 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.674 0.39 . . . . 0.0 111.717 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' HG12 ' A' ' 53' ' ' ILE . 53.8 mtpt -66.36 -30.05 70.35 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.232 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.1 m -72.37 -38.74 68.46 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' THR . 67.8 mt -67.66 -37.17 82.0 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.785 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.3 pt -74.17 -24.04 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.118 -0.633 . . . . 0.0 110.604 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -71.2 -38.0 72.09 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.4 ptpt -95.86 -56.59 2.61 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -91.29 -38.17 12.82 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.04 0.448 . . . . 0.0 111.014 -173.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.5 168.05 12.94 Favored Glycine 0 C--N 1.303 -1.256 0 C-N-CA 120.154 -1.022 . . . . 0.0 113.293 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -60.37 -41.68 94.24 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 124.152 0.981 . . . . 0.0 112.456 -177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -70.63 -27.3 63.97 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.052 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -68.16 -49.0 63.82 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.49 72.64 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 -177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.89 89.56 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.35 65.93 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.7 t90 . . . . . 0 C--O 1.242 0.665 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.459 -179.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 120.596 0.236 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 7' ' ' ILE . 30.2 m -56.63 -45.95 81.25 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.052 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.45 80.82 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 124.091 0.869 . . . . 0.0 112.549 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -86.63 -34.95 19.66 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -172.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.9 mt -87.36 -27.82 22.57 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.856 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.76 39.95 11.35 Favored Glycine 0 CA--C 1.493 -1.342 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 2' ' ' THR . 39.7 pt -111.15 174.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.481 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -80.06 165.73 22.23 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.969 0.414 . . . . 0.0 110.84 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -68.31 -30.34 69.31 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 26.6 t80 -64.43 -53.0 55.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -59.93 -43.99 94.61 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.183 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.79 -42.47 93.44 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.327 0.392 . . . . 0.0 111.06 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.92 -41.0 99.32 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.376 0.608 . . . . 0.0 109.763 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 71.4 mmtt -63.63 -46.08 87.34 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.76 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -56.35 -44.91 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 12' ' ' ALA . 38.9 mm -57.1 -45.35 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 O-C-N 123.734 0.646 . . . . 0.0 110.292 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.8 -45.45 93.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.955 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 14' ' ' LYS . 61.1 mt -68.45 -51.88 42.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.56 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 pt -61.14 -28.22 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -84.15 -35.45 23.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.23 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.8 p -77.16 -44.48 30.1 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 120.952 0.406 . . . . 0.0 111.038 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -69.46 149.58 48.68 Favored Glycine 0 N--CA 1.432 -1.571 0 CA-C-N 115.372 -0.831 . . . . 0.0 113.118 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -101.91 -71.95 0.7 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 123.622 0.769 . . . . 0.0 111.398 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -68.65 130.45 42.87 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.269 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 29' ' ' ILE . 90.6 t -55.16 -47.29 77.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 123.798 0.686 . . . . 0.0 111.116 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.36 69.94 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 123.606 0.566 . . . . 0.0 111.46 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.5 m -71.17 -40.58 71.17 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.978 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.44 -47.32 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.112 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 25' ' ' VAL . 60.3 mt -54.2 -43.78 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 O-C-N 123.46 0.475 . . . . 0.0 110.131 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.9 97.63 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.522 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.72 -43.56 58.84 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.314 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.3 t -66.15 -39.74 85.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.464 HG23 ' CA ' ' A' ' 38' ' ' GLY . 94.2 m -63.3 -34.53 77.9 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 121.17 0.51 . . . . 0.0 110.32 176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.57 -25.37 64.87 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.0 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.94 -51.24 11.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 32' ' ' VAL . 22.1 m -86.71 -16.25 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.65 -41.76 2.07 Favored Glycine 0 C--N 1.314 -0.668 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.247 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 119.82 167.09 13.48 Favored Glycine 0 C--N 1.293 -1.855 0 CA-C-N 115.159 -0.521 . . . . 0.0 113.06 178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.36 -23.0 17.03 Favored Glycine 0 CA--C 1.503 -0.664 0 CA-C-O 121.328 0.404 . . . . 0.0 112.44 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.9 mt -90.66 -75.56 0.46 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 114.874 -0.663 . . . . 0.0 111.128 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.92 96.86 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.383 0 CA-C-O 121.553 0.692 . . . . 0.0 109.386 -178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.1 p -96.4 -175.27 3.29 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 114.264 -1.334 . . . . 0.0 109.023 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.63 -40.52 79.37 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 122.935 0.494 . . . . 0.0 110.425 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.55 -36.1 92.75 Favored Glycine 0 N--CA 1.436 -1.354 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.638 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.1 mm -74.27 -44.6 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.74 -51.18 73.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 O-C-N 123.391 0.432 . . . . 0.0 110.287 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.22 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.061 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.602 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 85.2 m -67.65 -49.04 64.88 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.6 91.01 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.898 0.479 . . . . 0.0 111.931 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -65.41 -33.63 76.4 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-O 121.282 0.563 . . . . 0.0 110.724 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 49.9 m -74.0 -35.26 64.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 48' ' ' THR . 72.5 mt -68.78 -38.91 80.35 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.349 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 26.5 pt -71.44 -24.0 23.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.539 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.755 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -68.93 -48.89 62.15 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.23 0.538 . . . . 0.0 109.92 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.3 ptpp? -87.61 -56.95 3.13 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -89.03 -43.95 10.73 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.221 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.93 169.17 12.67 Favored Glycine 0 C--N 1.312 -0.795 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.282 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.63 -31.7 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 123.512 0.725 . . . . 0.0 112.363 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -69.84 -33.1 71.84 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 121.277 0.56 . . . . 0.0 109.694 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -67.63 -52.26 40.32 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.92 -34.97 77.04 Favored 'General case' 0 C--O 1.196 -1.743 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.619 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.65 90.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.981 0.419 . . . . 0.0 110.551 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.06 -43.6 78.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.056 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.243 0.724 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.16 179.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 7' ' ' ILE . 29.6 m -56.91 -46.07 82.21 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.6 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.27 80.0 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 124.329 1.018 . . . . 0.0 113.563 -175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -91.93 -33.18 14.99 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 mt -92.47 -27.32 17.52 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.951 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.09 40.52 11.4 Favored Glycine 0 CA--C 1.498 -1.015 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 2' ' ' THR . 39.5 pt -111.53 174.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.582 -0.309 . . . . 0.0 110.808 -176.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 p -76.88 162.56 27.52 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.479 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 t -68.58 -29.07 67.53 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 46.0 t80 -62.72 -56.66 15.57 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.186 176.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.85 -40.89 94.58 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.924 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -61.84 -42.1 98.63 Favored 'General case' 0 C--O 1.218 -0.597 0 O-C-N 123.427 0.455 . . . . 0.0 111.256 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -69.23 -32.73 72.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.427 0.632 . . . . 0.0 109.62 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 27.4 mtpp -64.32 -47.33 79.85 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 11' ' ' ALA . 65.8 t -55.23 -46.2 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.759 174.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.9 mm -55.25 -47.67 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 123.751 0.657 . . . . 0.0 110.739 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.24 -50.98 71.18 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.124 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -64.91 -52.33 55.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.131 -176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.7 pt -61.21 -26.7 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.08 -37.82 18.46 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.779 0.324 . . . . 0.0 110.274 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.8 p -75.79 -51.94 11.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.703 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.53 152.02 48.16 Favored Glycine 0 N--CA 1.442 -0.902 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.858 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.4 m -97.88 -74.31 0.58 Allowed 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 115.316 -0.442 . . . . 0.0 111.032 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 133.24 48.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.179 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.8 t -56.55 -46.23 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 123.322 0.649 . . . . 0.0 110.454 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.72 73.79 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.479 0.487 . . . . 0.0 111.3 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.479 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.6 m -71.56 -40.77 69.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.55 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 32' ' ' VAL . 94.4 mt -65.6 -49.52 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.551 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 25' ' ' VAL . 69.8 mt -53.18 -43.23 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.457 0.473 . . . . 0.0 110.417 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.25 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 27' ' ' THR . 85.7 mt -74.11 -45.16 50.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.741 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 28' ' ' ILE . 15.3 t -64.11 -39.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.8 m -62.86 -33.66 75.74 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.704 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.71 -31.66 72.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.264 0.554 . . . . 0.0 110.291 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.07 -49.94 15.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.733 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -91.87 -7.51 10.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.41 -50.39 0.89 Allowed Glycine 0 C--N 1.299 -1.527 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.811 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.14 171.01 12.3 Favored Glycine 0 C--N 1.288 -2.098 0 CA-C-N 115.154 -0.523 . . . . 0.0 111.806 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.17 -13.09 28.17 Favored Glycine 0 C--N 1.316 -0.577 0 CA-C-O 121.478 0.488 . . . . 0.0 113.089 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -96.77 -80.09 0.44 Allowed 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.387 -0.407 . . . . 0.0 111.143 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.42 95.51 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.55 0 CA-C-O 121.373 0.606 . . . . 0.0 109.614 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.96 -176.42 3.55 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 114.594 -1.184 . . . . 0.0 108.799 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.09 -41.62 68.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.825 0.45 . . . . 0.0 110.997 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.6 -37.97 95.56 Favored Glycine 0 N--CA 1.437 -1.274 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.871 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.7 mm -74.19 -39.78 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 O-C-N 122.603 -0.351 . . . . 0.0 110.314 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -58.57 -49.66 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.38 90.91 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.207 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 86.4 m -67.68 -50.38 58.02 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.7 -41.38 90.66 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -59.61 -40.93 89.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.055 0.455 . . . . 0.0 111.432 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.7 m -69.76 -39.7 76.55 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 62.5 mt -65.49 -37.81 87.88 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.768 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -72.22 -23.96 21.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -75.56 -45.31 38.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 111.053 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.2 ptpt -85.19 -56.0 3.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -90.72 -41.18 11.42 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.169 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 168.22 12.47 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.55 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.84 -37.55 87.99 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.024 0.53 . . . . 0.0 111.426 -178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -64.89 -34.29 78.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.734 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.43 -48.85 68.67 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.14 75.02 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.061 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.36 89.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.425 0.453 . . . . 0.0 109.957 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.45 74.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.853 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.5 t90 . . . . . 0 C--O 1.239 0.524 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.212 -179.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.502 -0.878 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' ILE . 52.8 m -58.77 -44.82 90.75 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.499 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.78 93.96 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.225 0.953 . . . . 0.0 112.505 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -81.45 -42.13 20.79 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.6 mt -86.01 -26.63 25.3 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.27 43.41 20.67 Favored Glycine 0 CA--C 1.499 -0.963 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 2' ' ' THR . 34.7 pt -107.84 177.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 115.163 -0.519 . . . . 0.0 112.07 -175.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -77.13 169.12 18.9 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.261 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -73.31 -25.34 60.6 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 15.4 t80 -64.24 -58.62 6.03 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.038 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -58.82 -40.41 84.05 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.559 -176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.501 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.05 -44.83 94.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.311 0.382 . . . . 0.0 111.237 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -64.59 -37.33 87.18 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 121.622 0.725 . . . . 0.0 109.585 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 70.7 mmtt -62.98 -51.53 66.5 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.136 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 11' ' ' ALA . 46.9 t -54.7 -47.43 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 O-C-N 123.87 0.731 . . . . 0.0 110.135 178.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.6 mm -54.07 -46.62 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 O-C-N 123.913 0.758 . . . . 0.0 111.4 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -63.79 -43.41 96.42 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 121.239 0.543 . . . . 0.0 110.988 -178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -70.34 -49.42 54.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.058 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.6 pt -62.79 -28.88 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 120.59 0.234 . . . . 0.0 111.232 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 8.1 t-20 -74.35 -37.89 63.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -84.96 -45.6 12.03 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.938 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -70.11 144.49 39.6 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.962 -0.563 . . . . 0.0 113.736 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.2 m -93.53 -74.78 0.52 Allowed 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.153 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -69.42 136.26 51.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.282 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 46.3 t -55.49 -52.65 44.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.804 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.72 -32.39 70.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 120.949 0.404 . . . . 0.0 111.517 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 32.0 m -69.82 -43.05 72.81 Favored 'General case' 0 N--CA 1.425 -1.725 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 32' ' ' VAL . 71.6 mt -66.36 -48.58 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.801 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.6 mt -51.35 -48.85 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 123.58 0.55 . . . . 0.0 110.979 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -36.56 84.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.765 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 27' ' ' THR . 93.2 mt -70.47 -49.16 51.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 28' ' ' ILE . 11.1 t -64.15 -42.74 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.8 m -62.55 -31.74 72.59 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.67 63.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.979 0.419 . . . . 0.0 110.842 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.78 -39.4 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.836 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.8 m -86.38 -19.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.426 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.04 45.48 72.22 Favored Glycine 0 CA--C 1.497 -1.083 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.161 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.72 158.44 28.51 Favored Glycine 0 C--N 1.279 -2.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.68 34.86 4.73 Favored Glycine 0 C--N 1.304 -1.195 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.55 -56.89 5.47 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.942 -1.129 . . . . 0.0 110.978 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -80.64 93.74 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 121.556 0.693 . . . . 0.0 109.969 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 p -96.87 -174.4 2.98 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.174 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.52 68.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.859 0.464 . . . . 0.0 110.996 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.22 -37.83 94.47 Favored Glycine 0 N--CA 1.434 -1.443 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.896 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.7 mm -75.48 -43.55 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.276 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.2 t -54.76 -55.86 13.51 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 C-N-CA 123.105 0.562 . . . . 0.0 111.265 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.42 -44.17 96.0 Favored 'General case' 0 CA--C 1.514 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 111.166 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.5 m -65.38 -51.74 58.32 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.77 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -58.2 -47.34 83.77 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' HG12 ' A' ' 53' ' ' ILE . 17.3 ptpt -71.72 -23.3 61.6 Favored 'General case' 0 C--O 1.25 1.12 0 C-N-CA 118.824 -1.15 . . . . 0.0 112.014 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.678 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 14.2 t -71.78 -44.97 63.08 Favored 'General case' 0 N--CA 1.424 -1.725 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 61.2 mt -58.6 -40.39 83.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.247 0.619 . . . . 0.0 111.144 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 58' ' ' ALA . 22.3 pt -69.92 -28.87 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.096 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.86 -26.43 36.94 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 119.675 -0.81 . . . . 0.0 111.307 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.6 ptpt -98.5 -55.22 2.81 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -91.81 -35.9 13.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.813 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.27 160.3 10.45 Favored Glycine 0 N--CA 1.438 -1.177 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.766 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.01 -31.22 70.75 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.771 0.32 . . . . 0.0 111.458 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -67.91 -33.14 74.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.322 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.79 -49.55 67.89 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 -32.83 74.55 Favored 'General case' 0 C--O 1.204 -1.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.634 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.6 96.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.109 0.48 . . . . 0.0 110.075 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.134 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.0 t90 . . . . . 0 C--O 1.24 0.596 0 C-N-CA 123.41 0.684 . . . . 0.0 110.799 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 CA--C 1.504 -0.82 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 7' ' ' ILE . 95.2 m -57.39 -49.47 76.09 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.626 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.05 92.32 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 124.481 1.113 . . . . 0.0 113.04 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.87 -47.97 12.12 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.1 -27.87 48.5 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -176.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.85 41.59 12.37 Favored Glycine 0 N--CA 1.432 -1.589 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 2' ' ' THR . 36.2 pt -108.93 177.59 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.207 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.3 p -79.29 159.97 27.01 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 123.293 0.371 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -65.67 -31.11 71.94 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.217 0.532 . . . . 0.0 109.838 177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -63.63 -56.17 17.94 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.109 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -62.87 -39.07 93.3 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.259 -178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.51 -41.5 90.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.243 0.339 . . . . 0.0 111.473 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -66.32 -36.3 82.57 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.734 0.778 . . . . 0.0 109.416 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -68.17 -43.67 77.67 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.218 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 11' ' ' ALA . 78.0 t -54.25 -45.15 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' ALA . 36.4 mm -54.09 -46.78 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.44 -47.83 84.4 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.284 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.0 mt -65.88 -51.19 64.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.348 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.09 -27.47 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-O 120.709 0.29 . . . . 0.0 111.738 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -81.54 -37.75 27.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.123 0.487 . . . . 0.0 109.989 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.8 p -80.12 -45.34 18.36 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.96 147.58 44.92 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 115.837 -0.62 . . . . 0.0 114.417 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -95.11 -74.19 0.56 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 114.548 -0.826 . . . . 0.0 111.05 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 127.23 31.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.051 -178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 29' ' ' ILE . 89.7 t -56.26 -45.29 81.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.27 -177.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.26 74.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.906 0.384 . . . . 0.0 111.38 178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 m -70.18 -37.47 75.17 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.851 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 32' ' ' VAL . 85.7 mt -68.26 -51.18 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.31 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.9 mt -50.43 -42.66 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.751 0.657 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.87 92.92 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.769 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -70.68 -43.92 68.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.975 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.9 t -64.63 -41.31 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.964 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.6 m -61.35 -37.28 82.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.982 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.46 -29.98 66.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 111.051 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.0 t -86.26 -43.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.527 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.9 m -85.9 -22.3 7.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.995 -176.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.52 34.54 88.8 Favored Glycine 0 N--CA 1.465 0.595 0 CA-C-O 121.804 0.669 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' H ' HG23 ' A' ' 36' ' ' VAL . . . -131.33 -34.82 0.4 Allowed Glycine 0 C--N 1.294 -1.769 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.937 -176.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.22 -9.92 37.8 Favored Glycine 0 N--CA 1.468 0.81 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.369 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.6 mt -47.89 -40.3 21.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.863 1.665 . . . . 0.0 112.551 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.04 94.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -97.02 -174.6 3.01 Favored 'General case' 0 N--CA 1.418 -2.048 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.71 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.5 -35.13 73.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 122.689 0.396 . . . . 0.0 111.239 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.07 -37.83 83.03 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.467 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.13 -44.35 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -56.6 -48.89 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 O-C-N 123.405 0.44 . . . . 0.0 110.418 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.9 93.31 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.475 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.53 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 84.8 m -64.92 -47.99 75.75 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.709 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.59 98.68 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.269 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -58.18 -37.89 75.61 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.087 0.47 . . . . 0.0 110.883 174.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.6 t -74.83 -38.11 62.1 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.044 -177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.9 mt -66.62 -41.2 88.74 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -69.75 -25.31 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.968 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -73.09 -37.24 66.83 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.9 ptpp? -96.32 -58.51 2.05 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -87.38 -35.66 18.21 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.229 0.538 . . . . 0.0 111.219 -172.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.69 165.56 12.45 Favored Glycine 0 C--N 1.303 -1.298 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.79 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -63.61 -35.01 79.12 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 124.089 0.955 . . . . 0.0 112.282 -177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -71.93 -30.75 65.66 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.897 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -67.15 -48.58 67.59 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.74 -32.68 74.14 Favored 'General case' 0 C--O 1.2 -1.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.293 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.96 88.47 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 121.088 0.471 . . . . 0.0 110.046 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.889 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.3 t90 . . . . . 0 C--O 1.242 0.669 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.205 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.501 -0.938 0 CA-C-O 121.135 0.493 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 7' ' ' ILE . 96.7 m -57.02 -45.51 83.02 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.385 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.34 83.63 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 124.106 0.879 . . . . 0.0 112.384 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -85.87 -27.38 25.07 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -172.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 mt -98.82 -27.72 13.8 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.635 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.1 41.7 10.12 Favored Glycine 0 CA--C 1.494 -1.245 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 2' ' ' THR . 33.6 pt -110.69 178.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 CA-C-N 115.131 -0.535 . . . . 0.0 111.359 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -79.46 155.57 28.24 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.348 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 t -63.7 -31.28 72.41 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.0 t80 -65.53 -48.93 70.79 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.32 -39.27 89.91 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.867 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.382 0.426 . . . . 0.0 110.518 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -62.96 -38.32 90.63 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.322 0.582 . . . . 0.0 109.712 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 11.0 mmpt? -61.78 -49.45 76.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.441 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.7 t -55.8 -46.78 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 123.934 0.771 . . . . 0.0 110.048 176.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -55.69 -46.88 79.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 123.761 0.663 . . . . 0.0 110.468 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.43 -43.05 83.56 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -74.79 -50.46 25.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.8 pt -62.69 -27.25 42.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.788 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -78.33 -38.13 42.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -80.05 -45.34 18.5 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.961 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -66.2 142.77 43.49 Favored Glycine 0 N--CA 1.436 -1.347 0 CA-C-N 115.379 -0.828 . . . . 0.0 115.16 -174.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -97.07 -73.38 0.61 Allowed 'General case' 0 N--CA 1.421 -1.903 0 CA-C-N 114.231 -0.985 . . . . 0.0 110.72 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.42 130.81 43.99 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.992 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.51 -46.18 78.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 123.832 0.707 . . . . 0.0 111.135 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.62 -34.65 74.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.088 0.47 . . . . 0.0 111.065 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 56.5 m -71.52 -40.65 69.97 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.644 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.3 mt -64.91 -50.5 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.989 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -52.7 -42.56 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.705 0.628 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.38 95.66 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.948 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -75.4 -41.86 55.12 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-O 121.069 0.461 . . . . 0.0 111.361 -177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -66.11 -41.32 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -63.73 -28.86 70.17 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.676 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.69 65.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.566 178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -90.94 -50.14 12.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.79 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 32' ' ' VAL . 27.3 m -89.49 -6.22 10.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -172.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.21 -54.57 0.8 Allowed Glycine 0 C--N 1.294 -1.753 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.242 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.75 165.12 10.16 Favored Glycine 0 C--N 1.294 -1.771 0 C-N-CA 121.457 -0.401 . . . . 0.0 112.641 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.81 -18.41 30.75 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.267 0.371 . . . . 0.0 112.803 174.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.0 mt -89.07 -78.3 0.35 Allowed 'General case' 0 C--N 1.293 -1.849 0 CA-C-O 121.097 0.475 . . . . 0.0 111.018 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.05 96.76 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.726 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 p -96.35 -176.69 3.72 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.655 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.96 73.53 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 110.621 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.71 -36.57 91.45 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.512 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.8 mm -71.82 -41.75 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.9 t -57.69 -51.92 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 O-C-N 123.624 0.577 . . . . 0.0 109.634 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.62 98.28 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.811 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.538 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.5 m -65.19 -49.96 67.76 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.436 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.5 87.89 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.087 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.2 -42.63 73.54 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 121.166 0.507 . . . . 0.0 111.112 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.673 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 10.4 t -71.6 -46.03 60.44 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 48' ' ' THR . 60.7 mt -61.09 -40.6 94.35 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.666 0.386 . . . . 0.0 111.604 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.458 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.3 pt -70.16 -27.48 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.484 178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -74.8 -43.24 55.75 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.391 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.1 ptpt -85.16 -57.1 3.22 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -92.01 -43.94 9.14 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.722 -173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.16 172.0 13.12 Favored Glycine 0 N--CA 1.436 -1.327 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.761 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -70.12 -28.21 65.19 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 124.542 1.137 . . . . 0.0 112.778 -176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -75.4 -34.23 61.05 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-O 121.384 0.611 . . . . 0.0 109.452 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -65.46 -50.76 64.15 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.43 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.95 95.52 Favored 'General case' 0 C--O 1.247 0.951 0 CA-C-O 121.247 0.546 . . . . 0.0 110.176 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.6 -41.76 75.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.146 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.7 t90 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 123.025 0.53 . . . . 0.0 110.893 178.604 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 7' ' ' ILE . 23.4 m -56.34 -44.82 80.42 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.405 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.95 -52.14 61.1 Favored 'General case' 0 C--N 1.313 -1.021 0 O-C-N 124.071 0.857 . . . . 0.0 112.461 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -81.48 -34.54 31.29 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -172.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 mt -88.29 -27.54 21.64 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.799 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.79 43.14 15.25 Favored Glycine 0 CA--C 1.495 -1.177 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 2' ' ' THR . 45.5 pt -114.99 173.43 3.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 p -73.09 158.63 34.98 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.014 0.435 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 m -72.08 -20.4 61.66 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 120.897 0.379 . . . . 0.0 110.615 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -66.65 -52.46 44.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.6 -37.83 82.68 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.282 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.07 -46.63 88.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.513 0.508 . . . . 0.0 111.004 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.56 -39.92 95.65 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 18' ' ' ILE . 30.6 mmmt -56.26 -52.79 63.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.277 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -54.94 -48.72 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 124.056 0.847 . . . . 0.0 110.039 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 12' ' ' ALA . 41.2 mm -54.99 -49.81 68.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 O-C-N 123.762 0.664 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.36 -39.42 94.47 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.834 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 14' ' ' LYS . 75.9 mt -70.19 -51.73 36.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.752 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.8 pt -62.29 -24.05 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-O 120.728 0.299 . . . . 0.0 111.031 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 6.8 t-20 -81.77 -28.65 33.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.882 0.372 . . . . 0.0 110.142 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -94.92 -44.07 7.89 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.53 149.93 50.22 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.747 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -99.01 -76.83 0.53 Allowed 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 122.775 0.43 . . . . 0.0 111.013 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.48 57.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 29' ' ' ILE . 52.1 t -57.5 -45.15 85.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 O-C-N 123.667 0.604 . . . . 0.0 110.492 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.79 70.64 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -70.73 -45.27 65.17 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.2 mt -64.42 -50.3 76.86 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.193 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.653 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 25' ' ' VAL . 41.6 mm -48.8 -44.64 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.73 0.644 . . . . 0.0 111.687 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.28 94.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.053 0.454 . . . . 0.0 111.156 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.92 -44.67 39.1 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 28' ' ' ILE . 3.5 t -66.48 -37.74 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.789 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.43 HG23 ' CA ' ' A' ' 38' ' ' GLY . 88.1 m -64.98 -32.95 74.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.733 0.302 . . . . 0.0 110.691 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.99 66.31 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.385 0.612 . . . . 0.0 110.092 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.01 -56.38 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.054 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.68 -7.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -170.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.15 -51.75 0.71 Allowed Glycine 0 C--N 1.296 -1.694 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.798 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 130.28 158.31 9.31 Favored Glycine 0 C--N 1.29 -2.013 0 CA-C-N 115.169 -0.516 . . . . 0.0 112.403 178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.14 -17.96 25.08 Favored Glycine 0 CA--C 1.505 -0.584 0 CA-C-O 121.385 0.436 . . . . 0.0 112.397 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -86.85 -70.05 0.64 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.367 0.603 . . . . 0.0 109.383 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG13 HG11 ' A' ' 32' ' ' VAL . 32.2 mm -83.6 97.61 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.862 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 p -96.14 177.18 5.82 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.298 177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.87 68.74 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.997 0.427 . . . . 0.0 110.811 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.8 -35.27 89.41 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.632 176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -43.22 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.2 t -55.7 -46.53 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 123.53 0.518 . . . . 0.0 110.619 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.14 76.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.686 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 72.2 m -60.87 -51.19 70.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.147 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 53' ' ' ILE . . . -59.52 -44.2 93.23 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 123.024 0.529 . . . . 0.0 111.714 -176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.36 -31.21 72.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.629 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.4 m -73.97 -37.67 64.43 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.0 mt -66.95 -38.59 86.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.596 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 58' ' ' ALA . 23.4 pt -72.83 -24.06 21.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.471 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.79 -41.08 72.11 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.34 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -97.13 -55.66 2.79 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -87.63 -40.0 14.56 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.314 -173.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 126.52 165.4 11.97 Favored Glycine 0 N--CA 1.438 -1.204 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.574 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.43 -38.13 89.95 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 122.822 0.449 . . . . 0.0 112.193 -177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.64 -34.12 77.16 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.771 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -62.86 -49.2 75.82 Favored 'General case' 0 CA--C 1.493 -1.213 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.93 -36.37 82.09 Favored 'General case' 0 N--CA 1.427 -1.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.228 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.7 84.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.214 0.531 . . . . 0.0 110.219 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.43 -43.19 60.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.692 177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.2 t90 . . . . . 0 C--O 1.245 0.841 0 C-N-CA 123.831 0.853 . . . . 0.0 110.719 179.147 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 CA--C 1.502 -0.891 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 7' ' ' ILE . 86.3 m -56.86 -49.73 74.59 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.951 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.97 98.19 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 124.475 1.109 . . . . 0.0 112.668 -176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -88.63 -33.57 17.58 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -173.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 mt -90.97 -27.92 18.36 Favored 'General case' 0 C--N 1.306 -1.323 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.51 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.2 8.09 Favored Glycine 0 CA--C 1.496 -1.134 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 2' ' ' THR . 40.9 pt -114.18 176.74 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 CA-C-N 115.167 -0.517 . . . . 0.0 110.344 -177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 p -80.62 157.59 25.94 Favored 'General case' 0 N--CA 1.426 -1.669 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.2 m -73.17 -22.12 60.55 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 31.6 t80 -64.13 -51.17 65.18 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -60.61 -44.08 96.72 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.432 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.48 -45.31 88.95 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.703 0.627 . . . . 0.0 110.769 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.99 -40.86 90.62 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.578 0.704 . . . . 0.0 109.784 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' CE1' ' A' ' 10' ' ' TYR . 69.1 mmtt -65.16 -44.73 87.6 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.835 177.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.4 t -56.66 -44.69 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 123.425 0.453 . . . . 0.0 109.783 174.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -55.0 -45.85 76.89 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.581 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -43.27 96.82 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.882 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LYS . 58.5 mt -70.77 -49.98 47.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.346 -176.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -62.88 -25.37 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 120.798 0.332 . . . . 0.0 111.868 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -81.87 -35.54 29.19 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.466 0.651 . . . . 0.0 109.437 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.5 p -84.46 -49.11 8.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.072 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.87 153.63 53.0 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.076 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.5 m -102.98 -78.28 0.55 Allowed 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 136.94 58.14 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.5 t -54.4 -49.36 65.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.413 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.36 72.65 Favored 'General case' 0 C--O 1.243 0.73 0 O-C-N 123.255 0.347 . . . . 0.0 111.426 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 32.7 m -71.6 -41.98 68.26 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.475 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.5 mt -64.73 -46.15 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.08 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 25' ' ' VAL . 91.4 mt -52.99 -44.14 49.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 123.566 0.541 . . . . 0.0 110.86 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.04 -42.42 99.16 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.051 0.453 . . . . 0.0 110.68 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.61 -47.09 57.0 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.325 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 28' ' ' ILE . 5.9 t -66.13 -37.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.489 HG23 ' HA2' ' A' ' 38' ' ' GLY . 63.5 m -67.61 -28.5 67.8 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.227 0.537 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.89 64.5 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.304 0.573 . . . . 0.0 110.323 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.8 t -84.97 -45.66 17.49 Favored 'Isoleucine or valine' 0 C--O 1.245 0.822 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.728 -175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 41' ' ' ILE . 14.8 m -100.97 -16.39 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.35 -170.43 19.47 Favored Glycine 0 N--CA 1.425 -2.034 0 N-CA-C 108.606 -1.798 . . . . 0.0 108.606 -173.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA2' HG23 ' A' ' 33' ' ' THR . . . -101.16 169.95 21.18 Favored Glycine 0 C--N 1.286 -2.206 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.299 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.52 -27.68 11.63 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.765 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.5 mt -85.62 -82.77 0.18 Allowed 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 121.491 0.662 . . . . 0.0 112.474 -175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 36' ' ' VAL . 4.1 mp -84.17 99.56 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.231 0 CA-C-O 121.985 0.898 . . . . 0.0 110.535 -177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.4 p -96.98 -179.43 4.55 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.224 -1.353 . . . . 0.0 108.608 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.65 71.87 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 122.771 0.429 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -37.92 94.53 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.374 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.14 -42.86 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.209 0.318 . . . . 0.0 110.675 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.82 82.54 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.927 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.558 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 59.9 m -63.85 -51.14 65.98 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.99 88.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.919 0.488 . . . . 0.0 112.303 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -67.62 -28.76 68.01 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 44.2 m -74.3 -37.31 63.68 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 48' ' ' THR . 66.8 mt -66.85 -40.87 88.07 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 58' ' ' ALA . 25.6 pt -71.64 -24.5 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.764 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.13 -30.77 62.45 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.9 ptpp? -104.15 -59.12 1.78 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 177.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -84.26 -37.63 21.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -172.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.17 168.76 12.97 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 120.308 -0.949 . . . . 0.0 114.008 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -64.96 -36.26 83.81 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.547 1.139 . . . . 0.0 112.215 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -71.8 -33.12 68.29 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.168 0.509 . . . . 0.0 110.275 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -65.01 -51.32 62.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.637 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.61 74.36 Favored 'General case' 0 C--O 1.199 -1.59 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.451 -176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.25 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.015 0.436 . . . . 0.0 110.289 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.33 75.98 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.334 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 86.2 t90 . . . . . 0 C--O 1.24 0.588 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.735 179.176 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 CA--C 1.503 -0.846 0 CA-C-O 121.175 0.512 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -57.43 -48.35 79.36 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.98 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.75 89.03 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.56 1.162 . . . . 0.0 112.783 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -80.12 -43.12 22.23 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.62 -27.72 26.99 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.492 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 46.24 14.38 Favored Glycine 0 CA--C 1.489 -1.542 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.3 pt -108.67 177.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.896 -175.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.1 p -78.22 154.98 30.58 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.969 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -65.97 -29.65 70.08 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.5 t80 -65.85 -51.05 62.14 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.291 178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.2 -42.9 99.37 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.523 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.45 -42.37 96.02 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.075 0.464 . . . . 0.0 110.615 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -64.9 -40.18 94.68 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.995 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.6 mmpt? -58.73 -51.57 69.4 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.892 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 11' ' ' ALA . 60.0 t -52.42 -47.79 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 123.938 0.774 . . . . 0.0 110.731 178.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 12' ' ' ALA . 40.6 mm -53.53 -47.03 60.48 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 O-C-N 123.859 0.724 . . . . 0.0 111.913 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.83 -42.22 97.68 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.194 0.521 . . . . 0.0 110.19 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.8 mt -70.49 -49.3 53.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.133 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.4 pt -62.53 -25.43 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -81.91 -34.67 29.81 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.213 0.53 . . . . 0.0 110.143 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -84.69 -41.63 16.08 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.67 165.82 47.19 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.056 -177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -111.76 -76.35 0.6 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 120.781 0.324 . . . . 0.0 110.704 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 133.2 48.54 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.728 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 29' ' ' ILE . 96.8 t -54.0 -48.26 64.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 123.706 0.629 . . . . 0.0 111.546 -178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.75 -37.87 74.38 Favored 'General case' 0 C--O 1.246 0.892 0 O-C-N 123.604 0.565 . . . . 0.0 111.288 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.8 m -71.32 -40.79 70.54 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.692 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 mt -63.8 -46.81 93.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.052 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 25' ' ' VAL . 80.5 mt -52.89 -43.26 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 123.386 0.429 . . . . 0.0 110.726 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.52 98.02 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -45.64 54.45 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.002 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 28' ' ' ILE . 16.9 t -63.08 -42.34 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' CA ' ' A' ' 38' ' ' GLY . 99.3 m -63.55 -30.47 71.58 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 120.92 0.391 . . . . 0.0 111.182 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -26.31 66.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.02 0.438 . . . . 0.0 110.001 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.01 -50.89 11.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.6 m -86.84 -3.48 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.77 -57.27 0.66 Allowed Glycine 0 C--N 1.299 -1.502 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.805 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 135.98 164.17 10.19 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.222 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.55 -21.67 17.03 Favored Glycine 0 CA--C 1.507 -0.436 0 CA-C-O 121.584 0.546 . . . . 0.0 111.83 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.19 -72.54 0.48 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.582 0.706 . . . . 0.0 110.174 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG13 HG11 ' A' ' 32' ' ' VAL . 26.2 mm -87.2 96.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.944 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.7 p -96.22 -178.53 4.35 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.337 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.49 -35.99 70.92 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 121.162 0.506 . . . . 0.0 110.856 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.08 -35.11 70.84 Favored Glycine 0 N--CA 1.426 -2.031 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.121 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mm -74.83 -42.48 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.3 t -57.63 -50.67 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 O-C-N 123.434 0.459 . . . . 0.0 110.228 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.2 92.97 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.992 0.425 . . . . 0.0 111.391 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.562 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 80.8 m -66.88 -49.32 66.0 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.58 179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.03 97.68 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.71 0.404 . . . . 0.0 111.631 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -60.81 -36.12 78.24 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 110.308 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 43.7 m -72.81 -42.65 63.62 Favored 'General case' 0 N--CA 1.428 -1.575 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.1 mt -63.76 -38.71 92.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.816 -0.174 . . . . 0.0 110.952 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 58' ' ' ALA . 29.1 pt -71.89 -28.4 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.039 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -68.35 -37.66 80.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.152 0.501 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.0 ptpt -100.43 -56.1 2.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -87.93 -42.35 12.55 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.493 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.65 167.57 12.31 Favored Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.739 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -61.72 -42.52 99.06 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 123.867 0.867 . . . . 0.0 112.346 -177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.15 -27.49 65.6 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.997 -177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -67.79 -47.28 69.56 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.89 82.21 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.821 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.41 80.94 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 123.377 0.423 . . . . 0.0 110.213 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -47.75 66.11 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.017 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.6 t90 . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.421 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 CA--C 1.507 -0.699 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 7' ' ' ILE . 99.4 m -55.81 -49.48 73.14 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.64 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.36 93.79 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.61 1.194 . . . . 0.0 113.27 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -88.11 -33.86 18.1 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 40' ' ' LEU . 29.9 mt -89.45 -27.19 20.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.055 -177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.0 36.72 17.69 Favored Glycine 0 CA--C 1.493 -1.296 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -108.12 177.94 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 CA-C-N 114.953 -0.624 . . . . 0.0 110.219 -175.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.6 p -82.86 153.33 25.19 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -66.75 -24.55 66.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.605 0.24 . . . . 0.0 110.814 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -63.56 -51.46 65.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -64.23 -38.03 89.6 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.202 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.601 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -60.38 -44.59 95.5 Favored 'General case' 0 C--O 1.209 -1.064 0 O-C-N 123.407 0.442 . . . . 0.0 110.425 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -62.66 -37.97 88.45 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.252 0.549 . . . . 0.0 109.886 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.1 mmpt? -61.52 -48.03 82.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.448 175.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 11' ' ' ALA . 64.4 t -55.85 -45.87 79.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.727 174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.3 mm -52.58 -47.86 48.3 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.744 0 C-N-CA 123.759 0.824 . . . . 0.0 110.716 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.07 -44.41 87.51 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.447 0.641 . . . . 0.0 112.033 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 HG22 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -70.42 -47.32 66.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.757 -177.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.6 pt -68.81 -26.79 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.957 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 34.7 t-20 -70.5 -38.04 74.27 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.182 -0.674 . . . . 0.0 109.182 -178.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.7 p -70.15 -53.18 18.34 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.34 73.69 0.28 Allowed Glycine 0 C--N 1.331 0.256 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -99.55 -85.84 0.39 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 117.429 0.615 . . . . 0.0 111.65 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -92.56 124.18 36.4 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.6 t -53.55 -48.62 58.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 123.419 0.449 . . . . 0.0 111.722 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.08 -33.87 74.02 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.6 m -77.14 -36.38 55.38 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.51 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 32' ' ' VAL . 76.3 mt -61.54 -51.79 68.68 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.811 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.87 -42.63 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 123.746 0.654 . . . . 0.0 110.291 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.75 89.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 -178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -71.72 -41.62 68.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.43 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 28' ' ' ILE . 10.6 t -66.91 -43.31 89.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.1 m -63.45 -30.4 71.53 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.492 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.49 -34.37 74.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.326 0.584 . . . . 0.0 110.77 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.71 -46.34 27.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 -178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 m -86.26 -22.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 C-N-CA 120.081 -0.648 . . . . 0.0 112.411 -175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 43.19 98.37 Favored Glycine 0 CA--C 1.498 -0.977 0 CA-C-O 121.557 0.531 . . . . 0.0 112.053 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.0 160.55 33.85 Favored Glycine 0 C--N 1.285 -2.297 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.68 35.14 4.68 Favored Glycine 0 CA--C 1.487 -1.692 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 5' ' ' LEU . 98.2 mt -73.68 -52.37 13.51 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.172 -1.014 . . . . 0.0 110.466 -179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.21 97.1 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 C-N-CA 119.615 -0.834 . . . . 0.0 108.825 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 p -96.18 -178.39 4.31 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.584 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.52 -37.93 68.55 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.833 0.453 . . . . 0.0 110.698 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.86 -40.32 97.2 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.557 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.5 mm -71.14 -39.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.0 t -57.59 -53.94 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 O-C-N 123.503 0.502 . . . . 0.0 110.196 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.0 88.2 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.587 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 53.6 m -64.07 -51.78 62.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.461 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.34 95.59 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.919 0.488 . . . . 0.0 111.941 -177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -62.03 -34.85 76.99 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.329 0.585 . . . . 0.0 110.361 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 35.8 m -74.91 -41.91 58.79 Favored 'General case' 0 N--CA 1.428 -1.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.251 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.0 mt -62.81 -40.93 98.91 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.813 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 58' ' ' ALA . 34.0 pt -72.5 -23.74 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.387 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -73.21 -34.95 66.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.001 0.429 . . . . 0.0 110.897 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' SER . 14.3 ptpt -102.68 -58.47 1.87 Allowed 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.6 -42.09 14.66 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.234 -173.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.44 168.31 12.7 Favored Glycine 0 N--CA 1.438 -1.173 0 C-N-CA 120.086 -1.054 . . . . 0.0 113.949 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.07 -30.67 70.78 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 124.248 1.019 . . . . 0.0 111.602 -178.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.83 -38.17 73.22 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -64.62 -47.65 77.77 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.036 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.93 85.44 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.821 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.46 -40.02 85.52 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.94 -48.26 59.13 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.789 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 89.4 t90 . . . . . 0 C--O 1.241 0.649 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.741 -178.739 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.502 -0.887 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 7' ' ' ILE . 98.2 m -55.27 -48.69 73.64 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.5 -42.53 98.93 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.57 1.169 . . . . 0.0 113.34 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -90.2 -33.86 16.04 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 mt -89.24 -27.37 20.66 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.673 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.62 42.71 11.06 Favored Glycine 0 CA--C 1.493 -1.33 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' THR . 36.0 pt -109.34 177.94 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 p -81.1 154.92 26.53 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.923 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -63.84 -30.14 71.26 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 123.186 0.594 . . . . 0.0 110.189 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -64.99 -49.64 69.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.834 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.51 -42.66 99.14 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.748 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -58.53 -42.98 89.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.487 0.492 . . . . 0.0 110.861 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.05 -38.66 91.56 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.977 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.9 mmpt? -61.63 -50.07 74.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.201 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 11' ' ' ALA . 61.4 t -54.31 -46.88 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 O-C-N 123.672 0.607 . . . . 0.0 110.111 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 12' ' ' ALA . 34.9 mm -55.37 -48.29 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 O-C-N 123.835 0.709 . . . . 0.0 110.648 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -58.44 -46.47 86.44 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.0 mt -70.24 -50.11 49.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.98 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 pt -62.28 -25.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 120.801 0.334 . . . . 0.0 111.482 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 17.0 t-20 -84.14 -37.82 21.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.774 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 p -78.41 -42.11 31.12 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 121.256 0.55 . . . . 0.0 111.902 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -72.32 144.78 36.49 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.645 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.8 m -96.09 -69.92 0.74 Allowed 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.049 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 132.69 46.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.791 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.0 t -57.0 -46.87 84.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.42 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.33 -36.98 71.83 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 120.87 0.366 . . . . 0.0 111.075 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 86.3 m -69.86 -41.46 74.81 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.589 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 mt -64.16 -47.78 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.639 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 25' ' ' VAL . 61.5 mt -54.97 -40.94 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.468 0.48 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.77 90.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.121 0.486 . . . . 0.0 110.984 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 27' ' ' THR . 90.5 mt -74.07 -47.08 39.01 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.795 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.3 t -63.43 -42.4 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 38' ' ' GLY . 99.9 m -65.09 -30.42 71.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.281 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.15 -25.86 63.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.051 0.453 . . . . 0.0 110.543 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.7 t -92.0 -50.52 12.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.933 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 32' ' ' VAL . 24.3 m -87.73 -7.02 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -174.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.06 -55.21 0.62 Allowed Glycine 0 C--N 1.303 -1.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.628 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 139.33 175.12 13.92 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 115.118 -0.541 . . . . 0.0 112.361 178.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.77 -7.25 42.83 Favored Glycine 0 C--N 1.313 -0.72 0 CA-C-O 120.916 0.175 . . . . 0.0 113.213 174.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -102.46 -80.07 0.52 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.151 0.501 . . . . 0.0 111.603 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -83.95 96.07 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.612 0 CA-C-O 121.54 0.686 . . . . 0.0 109.786 -176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.5 p -97.49 -175.96 3.36 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 114.295 -1.32 . . . . 0.0 109.647 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.46 67.34 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.438 0.695 . . . . 0.0 111.452 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -39.72 89.44 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.4 mm -72.72 -42.19 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.1 -50.44 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.001 0.429 . . . . 0.0 110.43 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.25 96.07 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.596 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.612 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.9 m -63.89 -48.34 77.04 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.3 85.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.494 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -60.49 -36.35 78.1 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.931 0.396 . . . . 0.0 111.959 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.638 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 t -69.39 -46.18 67.51 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.6 mt -62.35 -40.4 96.27 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.371 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.8 pt -71.83 -29.09 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.464 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -69.98 -41.34 74.56 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.545 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 51' ' ' SER . 13.9 ptpt -94.95 -57.43 2.44 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -85.88 -43.97 12.81 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.376 -173.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.98 169.84 12.9 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.683 -0.77 . . . . 0.0 113.356 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -68.58 -34.62 76.12 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 123.638 0.775 . . . . 0.0 111.443 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -63.05 -40.47 97.8 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -66.21 -51.21 59.86 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.046 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.56 85.62 Favored 'General case' 0 C--O 1.198 -1.654 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.957 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.71 89.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.864 0.364 . . . . 0.0 110.169 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 -45.37 69.59 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.702 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 85.4 t90 . . . . . 0 C--O 1.243 0.72 0 C-N-CA 123.356 0.662 . . . . 0.0 110.864 178.072 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.506 -0.726 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 7' ' ' ILE . 79.8 m -56.26 -47.66 78.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.903 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.76 81.88 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 124.381 1.05 . . . . 0.0 112.574 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -83.64 -34.51 25.03 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.1 mt -90.32 -27.91 19.09 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.141 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.11 43.67 10.54 Favored Glycine 0 CA--C 1.493 -1.286 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' THR . 38.1 pt -117.22 178.26 2.03 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-N 114.865 -0.668 . . . . 0.0 109.854 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -78.66 155.62 29.42 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -70.92 -17.59 62.68 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 120.636 0.255 . . . . 0.0 111.322 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -70.95 -47.38 59.28 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -63.36 -36.86 85.12 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.857 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -63.04 -41.25 99.46 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.42 176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.56 -41.37 98.41 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 7.0 mmpt? -57.26 -50.51 72.66 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.77 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.5 t -54.8 -47.57 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.746 0.654 . . . . 0.0 110.287 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 12' ' ' ALA . 42.1 mm -54.71 -51.72 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 O-C-N 123.82 0.7 . . . . 0.0 111.18 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.24 -40.12 92.88 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.123 0.487 . . . . 0.0 110.181 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.05 -53.47 25.64 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.753 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.22 -26.88 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 14.7 t-20 -79.87 -28.92 39.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.323 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -96.06 -41.93 8.49 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -175.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.49 ' HA3' HG12 ' A' ' 28' ' ' ILE . . . -62.86 150.35 48.51 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 115.576 -0.738 . . . . 0.0 114.231 -176.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 m -100.67 -74.55 0.61 Allowed 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.938 -0.631 . . . . 0.0 111.207 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 139.78 53.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.296 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -55.29 -52.44 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.545 0.738 . . . . 0.0 110.992 -176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.85 70.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.944 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.8 m -74.11 -39.74 63.17 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.3 mt -62.83 -50.38 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -53.12 -41.95 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.737 0.648 . . . . 0.0 110.723 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.69 90.46 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.85 -43.9 67.51 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.785 -178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' ILE . 12.7 t -64.58 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.2 m -62.86 -31.95 73.09 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.052 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.49 64.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.075 0.465 . . . . 0.0 110.52 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.17 -51.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.932 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 32' ' ' VAL . 26.7 m -90.32 -3.08 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -172.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.71 -45.71 1.58 Allowed Glycine 0 C--N 1.294 -1.795 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.827 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.32 174.31 14.05 Favored Glycine 0 C--N 1.294 -1.763 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.19 -20.09 23.28 Favored Glycine 0 C--N 1.317 -0.503 0 CA-C-O 121.554 0.53 . . . . 0.0 112.181 175.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.67 -74.5 0.54 Allowed 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.033 -0.584 . . . . 0.0 111.245 -177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mp -82.34 100.64 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.662 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.755 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 46' ' ' VAL . 41.7 p -96.24 -178.07 4.19 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.525 176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.05 71.44 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 120.994 0.426 . . . . 0.0 110.508 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.49 -39.82 91.15 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.4 mm -71.18 -40.12 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' THR . 97.8 t -57.34 -50.43 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 123.304 0.378 . . . . 0.0 110.43 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.04 94.6 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 89.1 m -62.0 -50.38 72.27 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.824 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 -44.29 93.18 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.802 0.441 . . . . 0.0 111.629 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 53' ' ' ILE . 50.6 mtmt -65.75 -29.42 69.93 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.762 178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 m -74.25 -39.6 62.92 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' THR . 59.0 mt -66.37 -41.74 89.01 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.673 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG22 ' HA ' ' A' ' 58' ' ' ALA . 27.0 pt -70.34 -26.71 29.66 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -71.57 -33.44 69.1 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 120.841 0.353 . . . . 0.0 110.801 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 51' ' ' SER . 6.6 ptpp? -102.06 -59.1 1.76 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -83.63 -38.38 21.64 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.737 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.96 167.84 12.67 Favored Glycine 0 N--CA 1.432 -1.57 0 C-N-CA 119.968 -1.111 . . . . 0.0 113.7 175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -66.32 -30.76 71.23 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 123.914 0.886 . . . . 0.0 111.868 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -76.43 -31.31 57.8 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.828 0.347 . . . . 0.0 110.495 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -65.3 -47.35 76.91 Favored 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.32 76.88 Favored 'General case' 0 N--CA 1.425 -1.703 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.682 -177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.04 87.15 Favored 'General case' 0 C--O 1.246 0.877 0 CA-C-O 121.288 0.566 . . . . 0.0 110.268 177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.19 -44.27 63.25 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.018 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 87.4 t90 . . . . . 0 C--O 1.244 0.787 0 C-N-CA 123.55 0.74 . . . . 0.0 111.148 179.036 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 CA--C 1.501 -0.94 0 CA-C-O 121.139 0.495 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 7' ' ' ILE . 87.4 m -58.47 -46.82 85.84 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.336 -178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.74 82.36 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.138 0.899 . . . . 0.0 112.868 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -80.25 -44.37 19.78 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.29 -27.41 32.36 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.405 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.89 44.4 19.59 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 38.7 pt -109.82 174.31 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -0.654 . . . . 0.0 111.409 -175.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -76.92 156.97 31.65 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.091 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 t -69.9 -24.59 63.42 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.6 t80 -64.82 -57.13 9.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 175.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -61.61 -41.59 97.67 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.366 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 16' ' ' ILE . . . -59.69 -39.91 86.11 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.352 0.407 . . . . 0.0 111.035 178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -64.08 -41.02 97.47 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 10' ' ' TYR . 14.5 mmmm -62.24 -48.36 80.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.645 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' ALA . 49.2 t -55.42 -45.72 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.342 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 12' ' ' ALA . 39.2 mm -57.56 -44.91 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 O-C-N 123.652 0.595 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -60.61 -48.58 81.17 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.298 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 14' ' ' LYS . 66.0 mt -67.1 -50.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.91 -176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.7 pt -62.11 -26.84 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-O 120.65 0.262 . . . . 0.0 111.7 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -83.93 -38.47 21.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.386 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 p -76.23 -46.93 25.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.86 156.54 53.45 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.57 -176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -105.17 -75.72 0.62 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.054 0.454 . . . . 0.0 110.538 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 134.87 55.84 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.497 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 29' ' ' ILE . 59.0 t -56.85 -46.46 83.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 O-C-N 123.655 0.597 . . . . 0.0 111.169 -176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.81 -35.78 75.42 Favored 'General case' 0 C--O 1.25 1.116 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.442 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 87.1 m -71.0 -42.26 69.86 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 83.5 mt -63.46 -47.86 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.068 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 25' ' ' VAL . 81.6 mt -52.38 -45.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 123.487 0.492 . . . . 0.0 110.664 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.43 80.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.443 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 27' ' ' THR . 92.5 mt -77.28 -43.68 32.39 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 -178.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 28' ' ' ILE . 17.0 t -64.94 -42.59 95.18 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' CA ' ' A' ' 38' ' ' GLY . 90.2 m -62.59 -33.26 74.61 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.97 -28.56 68.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 0.0 110.414 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.4 t -92.68 -49.74 12.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 32' ' ' VAL . 23.3 m -88.75 -6.68 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -173.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.43 -43.28 1.7 Allowed Glycine 0 C--N 1.299 -1.486 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.286 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' CA ' HG23 ' A' ' 33' ' ' THR . . . 119.7 170.44 14.45 Favored Glycine 0 C--N 1.29 -1.976 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.408 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.0 -19.19 17.93 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-O 121.411 0.45 . . . . 0.0 112.317 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.46 -75.6 0.48 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 114.92 -0.64 . . . . 0.0 110.391 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.49 96.8 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-O 121.67 0.748 . . . . 0.0 109.261 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.6 p -96.41 -175.15 3.25 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-N 114.143 -1.389 . . . . 0.0 108.854 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.95 -39.61 82.15 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 120.764 0.316 . . . . 0.0 110.424 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.98 95.61 Favored Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.596 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.3 mm -74.55 -43.82 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.0 t -57.7 -49.2 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 O-C-N 123.272 0.357 . . . . 0.0 110.671 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.99 78.61 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.708 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 70.3 m -63.14 -50.0 72.14 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.611 179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.88 88.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 123.161 0.584 . . . . 0.0 112.567 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -66.44 -29.97 70.23 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.426 -0.91 . . . . 0.0 110.862 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 13.4 t -74.99 -37.91 61.76 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 120.076 -0.65 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 48' ' ' THR . 65.9 mt -65.65 -40.42 92.46 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.319 0.248 . . . . 0.0 110.8 179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 58' ' ' ALA . 28.0 pt -70.67 -24.71 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.626 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -71.9 -45.89 59.65 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 51' ' ' SER . 5.0 ptpp? -88.96 -58.61 2.48 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -85.99 -38.43 17.93 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.257 -172.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.22 165.51 11.92 Favored Glycine 0 N--CA 1.433 -1.564 0 C-N-CA 120.22 -0.991 . . . . 0.0 112.87 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' HA ' HG22 ' A' ' 53' ' ' ILE . . . -67.71 -25.39 65.65 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.318 0.647 . . . . 0.0 111.054 -178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -74.15 -35.67 64.08 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.194 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.49 -47.78 77.64 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.54 76.26 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.551 -177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.46 90.28 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-O 121.246 0.546 . . . . 0.0 109.729 177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.47 61.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.227 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 88.9 t90 . . . . . 0 C--O 1.244 0.815 0 C-N-CA 123.561 0.744 . . . . 0.0 111.589 -179.3 . . . . . . . . 0 0 . 1 stop_ save_